3-{5-[methoxy(phenyl)methyl]-1,3,4-oxadiazol-2-yl}-N-(3-phenylpropyl)propanamide

• ChemBase ID: 546547
• Molecular Formular: C22H25N3O3
• Molecular Mass: 379.4522
• Monoisotopic Mass: 379.18959168
• SMILES: c1(nnc(o1)CCC(=O)NCCCc1ccccc1)C(c1ccccc1)OC
• Canonical SMILES: COC(c1nnc(o1)CCC(=O)NCCCc1ccccc1)c1ccccc1
• InChI: InChI=1S/C22H25N3O3/c1-27-21(18-12-6-3-7-13-18)22-25-24-20(28-22)15-14-19(26)23-16-8-11-17-9-4-2-5-10-17/h2-7,9-10,12-13,21H,8,11,14-16H2,1H3,(H,23,26)
• InChIKey: ZUVPRKBAIKCJGC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{5-[methoxy(phenyl)methyl]-1,3,4-oxadiazol-2-yl}-N-(3-phenylpropyl)propanamide
• IUPAC Traditional name: 3-{5-[methoxy(phenyl)methyl]-1,3,4-oxadiazol-2-yl}-N-(3-phenylpropyl)propanamide
• Synonyms: 3-{5-[methoxy(phenyl)methyl]-1,3,4-oxadiazol-2-yl}-N-(3-phenylpropyl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.170583
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.662422
• LogD (pH = 7.4): 2.662422
• Log P: 2.662422
• Molar Refractivity: 108.2571 cm^3
• Polarizability: 41.24541 Å^3
• Polar Surface Area: 77.25 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.69
• LOG S: -5.38
• Polar Surface Area: 77.25 Å^2
• Rotatable Bonds: 9