methyl 2-(3-{5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl}-N-methylpropanamido)acetate

• ChemBase ID: 696933
• Molecular Formular: C19H22ClN3O4
• Molecular Mass: 391.84868
• Monoisotopic Mass: 391.12988388
• SMILES: c1(nnc(o1)CCC(=O)N(CC(=O)OC)C)C1(c2ccc(cc2)Cl)CCC1
• Canonical SMILES: COC(=O)CN(C(=O)CCc1nnc(o1)C1(CCC1)c1ccc(cc1)Cl)C
• InChI: InChI=1S/C19H22ClN3O4/c1-23(12-17(25)26-2)16(24)9-8-15-21-22-18(27-15)19(10-3-11-19)13-4-6-14(20)7-5-13/h4-7H,3,8-12H2,1-2H3
• InChIKey: GOCLZUZYXSRZJW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-(3-{5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl}-N-methylpropanamido)acetate
• IUPAC Traditional name: methyl 2-(3-{5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl}-N-methylpropanamido)acetate
• Synonyms: methyl N-(3-{5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl}propanoyl)-N-methylglycinate

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.8081925
• LogD (pH = 7.4): 1.8081925
• Log P: 1.8081925
• Molar Refractivity: 111.123 cm^3
• Polarizability: 38.412407 Å^3
• Polar Surface Area: 85.53 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 1.35
• LOG S: -4.62
• Polar Surface Area: 85.53 Å^2
• Rotatable Bonds: 7