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

• ChemBase ID: 549260
• Molecular Formular: C20H24ClN3O2
• Molecular Mass: 373.87646
• Monoisotopic Mass: 373.1557047
• SMILES: c1(nnc(o1)CCC(=O)NC1CCCC1)C1(c2ccc(cc2)Cl)CCC1
• Canonical SMILES: O=C(NC1CCCC1)CCc1nnc(o1)C1(CCC1)c1ccc(cc1)Cl
• InChI: InChI=1S/C20H24ClN3O2/c21-15-8-6-14(7-9-15)20(12-3-13-20)19-24-23-18(26-19)11-10-17(25)22-16-4-1-2-5-16/h6-9,16H,1-5,10-13H2,(H,22,25)
• InChIKey: QWVBONSAZJDZHA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.972201
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.3153408
• LogD (pH = 7.4): 3.315341
• Log P: 3.315341
• Molar Refractivity: 111.7858 cm^3
• Polarizability: 38.684544 Å^3
• Polar Surface Area: 68.02 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.34
• LOG S: -6.38
• Polar Surface Area: 68.02 Å^2
• Rotatable Bonds: 6