N-(3-cyclopentylpropyl)-3-{5-[2-(2-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl}propanamide

• ChemBase ID: 535602
• Molecular Formular: C22H31N3O3
• Molecular Mass: 385.49984
• Monoisotopic Mass: 385.23654187
• SMILES: n1nc(oc1CCc1c(OC)cccc1)CCC(=O)NCCCC1CCCC1
• Canonical SMILES: COc1ccccc1CCc1nnc(o1)CCC(=O)NCCCC1CCCC1
• InChI: InChI=1S/C22H31N3O3/c1-27-19-11-5-4-10-18(19)12-14-21-24-25-22(28-21)15-13-20(26)23-16-6-9-17-7-2-3-8-17/h4-5,10-11,17H,2-3,6-9,12-16H2,1H3,(H,23,26)
• InChIKey: XVZXROITDDBVJG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-cyclopentylpropyl)-3-{5-[2-(2-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl}propanamide
• IUPAC Traditional name: N-(3-cyclopentylpropyl)-3-{5-[2-(2-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl}propanamide
• Synonyms: N-(3-cyclopentylpropyl)-3-{5-[2-(2-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl}propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.212084
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.0445466
• LogD (pH = 7.4): 3.0445466
• Log P: 3.0445466
• Molar Refractivity: 109.6863 cm^3
• Polarizability: 41.818283 Å^3
• Polar Surface Area: 77.25 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.38
• LOG S: -5.86
• Polar Surface Area: 77.25 Å^2
• Rotatable Bonds: 10