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

• ChemBase ID: 467084
• Molecular Formular: C24H29N3O3
• Molecular Mass: 407.50536
• Monoisotopic Mass: 407.2208918
• SMILES: n1nc(oc1CCc1ccc(cc1)OC)CCC(=O)NC(c1ccccc1)CCC
• Canonical SMILES: CCCC(c1ccccc1)NC(=O)CCc1nnc(o1)CCc1ccc(cc1)OC
• InChI: InChI=1S/C24H29N3O3/c1-3-7-21(19-8-5-4-6-9-19)25-22(28)15-17-24-27-26-23(30-24)16-12-18-10-13-20(29-2)14-11-18/h4-6,8-11,13-14,21H,3,7,12,15-17H2,1-2H3,(H,25,28)
• InChIKey: NPASZHYSCHGJMC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.001956
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.6717875
• LogD (pH = 7.4): 3.6717875
• Log P: 3.6717877
• Molar Refractivity: 117.4197 cm^3
• Polarizability: 44.76319 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: 2.62
• LOG S: -6.03
• Polar Surface Area: 77.25 Å^2
• Rotatable Bonds: 8