3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(3-phenylpropyl)propanamide

• ChemBase ID: 469194
• Molecular Formular: C20H21N3O2
• Molecular Mass: 335.39964
• Monoisotopic Mass: 335.16337693
• SMILES: n1c(oc(n1)CCC(=O)NCCCc1ccccc1)c1ccccc1
• Canonical SMILES: O=C(CCc1nnc(o1)c1ccccc1)NCCCc1ccccc1
• InChI: InChI=1S/C20H21N3O2/c24-18(21-15-7-10-16-8-3-1-4-9-16)13-14-19-22-23-20(25-19)17-11-5-2-6-12-17/h1-6,8-9,11-12H,7,10,13-15H2,(H,21,24)
• InChIKey: DHMNVXYMBUCFDN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(3-phenylpropyl)propanamide
• IUPAC Traditional name: 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(3-phenylpropyl)propanamide
• Synonyms: 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(3-phenylpropyl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.52811
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.8018196
• LogD (pH = 7.4): 2.8018198
• Log P: 2.8018198
• Molar Refractivity: 108.1067 cm^3
• Polarizability: 37.569656 Å^3
• Polar Surface Area: 68.02 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.67
• LOG S: -5.33
• Polar Surface Area: 68.02 Å^2
• Rotatable Bonds: 8