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

• ChemBase ID: 419817
• Molecular Formular: C23H33N3O3
• Molecular Mass: 399.52642
• Monoisotopic Mass: 399.25219193
• SMILES: n1nc(oc1CCc1c(OC)cccc1)CCC(=O)N(CCCC1CCCC1)C
• Canonical SMILES: COc1ccccc1CCc1nnc(o1)CCC(=O)N(CCCC1CCCC1)C
• InChI: InChI=1S/C23H33N3O3/c1-26(17-7-10-18-8-3-4-9-18)23(27)16-15-22-25-24-21(29-22)14-13-19-11-5-6-12-20(19)28-2/h5-6,11-12,18H,3-4,7-10,13-17H2,1-2H3
• InChIKey: OWGKNMYKJWGZSL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.2682226
• LogD (pH = 7.4): 3.2682226
• Log P: 3.2682226
• Molar Refractivity: 114.583 cm^3
• Polarizability: 43.65738 Å^3
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.65
• LOG S: -5.47
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 10