CAS RN: 915925-45-0
CAS Name: (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanol
OPENEYE Name: (3-isopropyl-1,2,4-oxadiazol-5-yl)methanol
IUPAC Name: (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanol
SYSTEMATIC NAME: (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanol
MOLECULAR FORMULA: C6H10N2O2
MOLECULAR WEIGHT: 142.1558
SMILES: CC(C)C1=NOC(=N1)CO
Structure:
CAS RN: 938459-18-8
CAS Name: 2-(3,5-dioxo-4-morpholinyl)acetic acid
OPENEYE Name: 2-(3,5-dioxomorpholin-4-yl)acetic acid
IUPAC Name: 2-(3,5-dioxomorpholin-4-yl)acetic acid
SYSTEMATIC NAME: 2-[3,5-bis(oxidanylidene)morpholin-4-yl]ethanoic acid
MOLECULAR FORMULA: C6H7NO5
MOLECULAR WEIGHT: 173.12348
SMILES: C1C(=O)N(C(=O)CO1)CC(=O)O
Structure:
CAS RN: 914260-86-9
CAS Name: N-(4-oxanylmethyl)ethanamine
OPENEYE Name: N-(tetrahydropyran-4-ylmethyl)ethanamine
IUPAC Name: N-(oxan-4-ylmethyl)ethanamine
SYSTEMATIC NAME: N-(oxan-4-ylmethyl)ethanamine
MOLECULAR FORMULA: C8H17NO
MOLECULAR WEIGHT: 143.22668
SMILES: CCNCC1CCOCC1
Structure:
CAS RN: 915923-74-9
CAS Name: 1-(2-ethyl-1-piperidinyl)butane-1,3-dione
OPENEYE Name: 1-(2-ethyl-1-piperidyl)butane-1,3-dione
IUPAC Name: 1-(2-ethylpiperidin-1-yl)butane-1,3-dione
SYSTEMATIC NAME: 1-(2-ethylpiperidin-1-yl)butane-1,3-dione
MOLECULAR FORMULA: C11H19NO2
MOLECULAR WEIGHT: 197.27406
SMILES: CCC1CCCCN1C(=O)CC(=O)C
Structure:
CAS RN: 1017791-37-5
CAS Name: 4-acetyl-2,3-dihydro-1,4-benzoxazine-6-sulfonyl chloride
OPENEYE Name: 4-acetyl-2,3-dihydro-1,4-benzoxazine-6-sulfonyl chloride
IUPAC Name: 4-acetyl-2,3-dihydro-1,4-benzoxazine-6-sulfonyl chloride
SYSTEMATIC NAME: 4-ethanoyl-2,3-dihydro-1,4-benzoxazine-6-sulfonyl chloride
MOLECULAR FORMULA: C10H10ClNO4S
MOLECULAR WEIGHT: 275.7087
SMILES: CC(=O)N1CCOC2=C1C=C(C=C2)S(=O)(=O)Cl
Structure:
CAS RN: 1015846-77-1
CAS Name: 1,3,7-trimethyl-2-indolecarboxylic acid
OPENEYE Name: 1,3,7-trimethylindole-2-carboxylic acid
IUPAC Name: 1,3,7-trimethylindole-2-carboxylic acid
SYSTEMATIC NAME: 1,3,7-trimethylindole-2-carboxylic acid
MOLECULAR FORMULA: C12H13NO2
MOLECULAR WEIGHT: 203.23712
SMILES: CC1=CC=CC2=C1N(C(=C2C)C(=O)O)C
Structure:
CAS RN: 1020046-39-2
CAS Name: 5-amino-2-ethoxybenzonitrile
OPENEYE Name: 5-amino-2-ethoxy-benzonitrile
IUPAC Name: 5-amino-2-ethoxybenzonitrile
SYSTEMATIC NAME: 5-azanyl-2-ethoxy-benzenecarbonitrile
MOLECULAR FORMULA: C9H10N2O
MOLECULAR WEIGHT: 162.1885
SMILES: CCOC1=C(C=C(C=C1)N)C#N
Structure:
CAS RN: 912770-37-7
CAS Name: 6-(4-fluorophenyl)-3-imidazo[2,1-b]thiazolecarboxylic acid
OPENEYE Name: 6-(4-fluorophenyl)imidazo[2,1-b]thiazole-3-carboxylic acid
IUPAC Name: 6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylic acid
SYSTEMATIC NAME: 6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylic acid
MOLECULAR FORMULA: C12H7FN2O2S
MOLECULAR WEIGHT: 262.259583
SMILES: C1=CC(=CC=C1C2=CN3C(=CSC3=N2)C(=O)O)F
Structure:
CAS RN: 915920-28-4
CAS Name: 4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)benzoic acid
OPENEYE Name: 4-(5-isopropyl-1,2,4-oxadiazol-3-yl)benzoic acid
IUPAC Name: 4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)benzoic acid
SYSTEMATIC NAME: 4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)benzoic acid
MOLECULAR FORMULA: C12H12N2O3
MOLECULAR WEIGHT: 232.23528
SMILES: CC(C)C1=NC(=NO1)C2=CC=C(C=C2)C(=O)O
Structure:
CAS RN: 915920-27-3
CAS Name: 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoic acid
OPENEYE Name: 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoic acid
IUPAC Name: 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoic acid
SYSTEMATIC NAME: 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoic acid
MOLECULAR FORMULA: C12H10N2O3
MOLECULAR WEIGHT: 230.2194
SMILES: C1CC1C2=NC(=NO2)C3=CC=C(C=C3)C(=O)O
Structure:
CAS RN: 959241-50-0
CAS Name: 2-(cyclopropylmethylthio)acetic acid
OPENEYE Name: 2-(cyclopropylmethylsulfanyl)acetic acid
IUPAC Name: 2-(cyclopropylmethylsulfanyl)acetic acid
SYSTEMATIC NAME: 2-(cyclopropylmethylsulfanyl)ethanoic acid
MOLECULAR FORMULA: C6H10O2S
MOLECULAR WEIGHT: 146.2074
SMILES: C1CC1CSCC(=O)O
Structure:
CAS RN: 915923-47-6
CAS Name: 3-(4-methyl-1,4-diazepan-1-yl)propanoic acid
OPENEYE Name: 3-(4-methyl-1,4-diazepan-1-yl)propanoic acid
IUPAC Name: 3-(4-methyl-1,4-diazepan-1-yl)propanoic acid
SYSTEMATIC NAME: 3-(4-methyl-1,4-diazepan-1-yl)propanoic acid
MOLECULAR FORMULA: C9H18N2O2
MOLECULAR WEIGHT: 186.25142
SMILES: CN1CCCN(CC1)CCC(=O)O
Structure:
CAS RN: 363626-93-1
CAS Name: 1-(aminomethyl)-N-ethyl-N-methyl-1-cyclohexanamine
OPENEYE Name: 1-(aminomethyl)-N-ethyl-N-methyl-cyclohexanamine
IUPAC Name: 1-(aminomethyl)-N-ethyl-N-methylcyclohexan-1-amine
SYSTEMATIC NAME: 1-(aminomethyl)-N-ethyl-N-methyl-cyclohexan-1-amine
MOLECULAR FORMULA: C10H22N2
MOLECULAR WEIGHT: 170.29508
SMILES: CCN(C)C1(CCCCC1)CN
Structure:
CAS RN: 959241-13-5
CAS Name: 2-chloro-N-cyclopropyl-4-pyridinecarboxamide
OPENEYE Name: 2-chloro-N-cyclopropyl-pyridine-4-carboxamide
IUPAC Name: 2-chloro-N-cyclopropylpyridine-4-carboxamide
SYSTEMATIC NAME: 2-chloranyl-N-cyclopropyl-pyridine-4-carboxamide
MOLECULAR FORMULA: C9H9ClN2O
MOLECULAR WEIGHT: 196.63356
SMILES: C1CC1NC(=O)C2=CC(=NC=C2)Cl
Structure:
CAS RN: 174482-98-5
CAS Name: (2-chloro-4-pyridinyl)-(4-morpholinyl)methanone
OPENEYE Name: (2-chloro-4-pyridyl)-morpholino-methanone
IUPAC Name: (2-chloropyridin-4-yl)-morpholin-4-ylmethanone
SYSTEMATIC NAME: (2-chloranylpyridin-4-yl)-morpholin-4-yl-methanone
MOLECULAR FORMULA: C10H11ClN2O2
MOLECULAR WEIGHT: 226.65954
SMILES: C1COCCN1C(=O)C2=CC(=NC=C2)Cl
Structure:
CAS RN: 720693-06-1
CAS Name: (2-chloro-4-pyridinyl)-(1-pyrrolidinyl)methanone
OPENEYE Name: (2-chloro-4-pyridyl)-pyrrolidin-1-yl-methanone
IUPAC Name: (2-chloropyridin-4-yl)-pyrrolidin-1-ylmethanone
SYSTEMATIC NAME: (2-chloranylpyridin-4-yl)-pyrrolidin-1-yl-methanone
MOLECULAR FORMULA: C10H11ClN2O
MOLECULAR WEIGHT: 210.66014
SMILES: C1CCN(C1)C(=O)C2=CC(=NC=C2)Cl
Structure:
CAS RN: 959240-62-1
CAS Name: 5-(6-chloro-3-pyridinyl)-3-methyl-1,2,4-oxadiazole
OPENEYE Name: 5-(6-chloro-3-pyridyl)-3-methyl-1,2,4-oxadiazole
IUPAC Name: 5-(6-chloropyridin-3-yl)-3-methyl-1,2,4-oxadiazole
SYSTEMATIC NAME: 5-(6-chloranylpyridin-3-yl)-3-methyl-1,2,4-oxadiazole
MOLECULAR FORMULA: C8H6ClN3O
MOLECULAR WEIGHT: 195.60574
SMILES: CC1=NOC(=N1)C2=CN=C(C=C2)Cl
Structure:
CAS RN: 120003-15-8
CAS Name: 5-(chloromethyl)-3-(methoxymethyl)-1,2,4-oxadiazole
OPENEYE Name: 5-(chloromethyl)-3-(methoxymethyl)-1,2,4-oxadiazole
IUPAC Name: 5-(chloromethyl)-3-(methoxymethyl)-1,2,4-oxadiazole
SYSTEMATIC NAME: 5-(chloromethyl)-3-(methoxymethyl)-1,2,4-oxadiazole
MOLECULAR FORMULA: C5H7ClN2O2
MOLECULAR WEIGHT: 162.57428
SMILES: COCC1=NOC(=N1)CCl
Structure:
CAS RN: 915925-27-8
CAS Name: N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
OPENEYE Name: N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
IUPAC Name: N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
SYSTEMATIC NAME: N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
MOLECULAR FORMULA: C8H15N3O
MOLECULAR WEIGHT: 169.2242
SMILES: CCCC1=NC(=NO1)CNCC
Structure:
CAS RN: 915925-33-6
CAS Name: N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
OPENEYE Name: N-[(5-isobutyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
IUPAC Name: N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
SYSTEMATIC NAME: N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
MOLECULAR FORMULA: C9H17N3O
MOLECULAR WEIGHT: 183.25078
SMILES: CCNCC1=NOC(=N1)CC(C)C
Structure:
CAS RN: 4553-30-4
CAS Name: 3-(4-methyl-1-piperazinyl)-1-butanamine
OPENEYE Name: 3-(4-methylpiperazin-1-yl)butan-1-amine
IUPAC Name: 3-(4-methylpiperazin-1-yl)butan-1-amine
SYSTEMATIC NAME: 3-(4-methylpiperazin-1-yl)butan-1-amine
MOLECULAR FORMULA: C9H21N3
MOLECULAR WEIGHT: 171.28314
SMILES: CC(CCN)N1CCN(CC1)C
Structure:
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