2-cyclopentyl-2-phenyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide

• ChemBase ID: 696180
• Molecular Formular: C22H23N3O2
• Molecular Mass: 361.43692
• Monoisotopic Mass: 361.17902699
• SMILES: n1c(oc(n1)CNC(=O)C(c1ccccc1)C1CCCC1)c1ccccc1
• Canonical SMILES: O=C(C(c1ccccc1)C1CCCC1)NCc1nnc(o1)c1ccccc1
• InChI: InChI=1S/C22H23N3O2/c26-21(20(17-11-7-8-12-17)16-9-3-1-4-10-16)23-15-19-24-25-22(27-19)18-13-5-2-6-14-18/h1-6,9-10,13-14,17,20H,7-8,11-12,15H2,(H,23,26)
• InChIKey: TWSMHUSWLTXEDU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclopentyl-2-phenyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
• IUPAC Traditional name: 2-cyclopentyl-2-phenyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
• Synonyms: 2-cyclopentyl-2-phenyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.965589
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.5315626
• LogD (pH = 7.4): 3.5315616
• Log P: 3.5315626
• Molar Refractivity: 115.1752 cm^3
• Polarizability: 40.522083 Å^3
• Polar Surface Area: 68.02 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.97
• LOG S: -4.37
• Polar Surface Area: 68.02 Å^2
• Rotatable Bonds: 6