3-{5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl}-N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)propanamide

• ChemBase ID: 586935
• Molecular Formular: C24H30ClN3O3
• Molecular Mass: 443.9663
• Monoisotopic Mass: 443.19756952
• SMILES: c1(nnc(o1)CCC(=O)N(CC1CC1)CC1OCCC1)C1(c2ccc(cc2)Cl)CCC1
• Canonical SMILES: Clc1ccc(cc1)C1(CCC1)c1nnc(o1)CCC(=O)N(CC1CCCO1)CC1CC1
• InChI: InChI=1S/C24H30ClN3O3/c25-19-8-6-18(7-9-19)24(12-2-13-24)23-27-26-21(31-23)10-11-22(29)28(15-17-4-5-17)16-20-3-1-14-30-20/h6-9,17,20H,1-5,10-16H2
• InChIKey: ZHIHTVOTMOCBLM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl}-N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)propanamide
• IUPAC Traditional name: 3-{5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl}-N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)propanamide
• Synonyms: 3-{5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl}-N-(cyclopropylmethyl)-N-(tetrahydro-2-furanylmethyl)propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.383481
• LogD (pH = 7.4): 3.3834815
• Log P: 3.3834815
• Molar Refractivity: 130.466 cm^3
• Polarizability: 46.02355 Å^3
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.07
• LOG S: -5.64
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 9