N-cyclopentyl-3-{5-[(4-phenylphenyl)methyl]-1,3,4-oxadiazol-2-yl}propanamide

• ChemBase ID: 406107
• Molecular Formular: C23H25N3O2
• Molecular Mass: 375.4635
• Monoisotopic Mass: 375.19467706
• SMILES: n1nc(oc1Cc1ccc(c2ccccc2)cc1)CCC(=O)NC1CCCC1
• Canonical SMILES: O=C(NC1CCCC1)CCc1nnc(o1)Cc1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C23H25N3O2/c27-21(24-20-8-4-5-9-20)14-15-22-25-26-23(28-22)16-17-10-12-19(13-11-17)18-6-2-1-3-7-18/h1-3,6-7,10-13,20H,4-5,8-9,14-16H2,(H,24,27)
• InChIKey: UDLOIJSSNFMCKV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-3-{5-[(4-phenylphenyl)methyl]-1,3,4-oxadiazol-2-yl}propanamide
• IUPAC Traditional name: N-cyclopentyl-3-{5-[(4-phenylphenyl)methyl]-1,3,4-oxadiazol-2-yl}propanamide
• Synonyms: 3-[5-(4-biphenylylmethyl)-1,3,4-oxadiazol-2-yl]-N-cyclopentylpropanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.916599
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.2786782
• LogD (pH = 7.4): 3.2786782
• Log P: 3.2786782
• Molar Refractivity: 109.7485 cm^3
• Polarizability: 42.95469 Å^3
• Polar Surface Area: 68.02 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.29
• LOG S: -6.29
• Polar Surface Area: 68.02 Å^2
• Rotatable Bonds: 7