N-[1-(4-methylphenyl)propyl]-3-[5-(4-phenylbutyl)-1,3,4-oxadiazol-2-yl]propanamide

• ChemBase ID: 739908
• Molecular Formular: C25H31N3O2
• Molecular Mass: 405.53254
• Monoisotopic Mass: 405.24162725
• SMILES: n1nc(oc1CCC(=O)NC(c1ccc(cc1)C)CC)CCCCc1ccccc1
• Canonical SMILES: CCC(c1ccc(cc1)C)NC(=O)CCc1nnc(o1)CCCCc1ccccc1
• InChI: InChI=1S/C25H31N3O2/c1-3-22(21-15-13-19(2)14-16-21)26-23(29)17-18-25-28-27-24(30-25)12-8-7-11-20-9-5-4-6-10-20/h4-6,9-10,13-16,22H,3,7-8,11-12,17-18H2,1-2H3,(H,26,29)
• InChIKey: NRDONCJUVSTVQL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(4-methylphenyl)propyl]-3-[5-(4-phenylbutyl)-1,3,4-oxadiazol-2-yl]propanamide
• IUPAC Traditional name: N-[1-(4-methylphenyl)propyl]-3-[5-(4-phenylbutyl)-1,3,4-oxadiazol-2-yl]propanamide
• Synonyms: N-[1-(4-methylphenyl)propyl]-3-[5-(4-phenylbutyl)-1,3,4-oxadiazol-2-yl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.067381
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 4.787449
• LogD (pH = 7.4): 4.787449
• Log P: 4.787449
• Molar Refractivity: 120.5987 cm^3
• Polarizability: 45.856354 Å^3
• Polar Surface Area: 68.02 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.73
• LOG S: -7.11
• Polar Surface Area: 68.02 Å^2
• Rotatable Bonds: 10