N-[1-(4-chlorophenyl)ethyl]-3-[5-(2-phenylethyl)-1,3,4-oxadiazol-2-yl]propanamide

• ChemBase ID: 336961
• Molecular Formular: C21H22ClN3O2
• Molecular Mass: 383.87128
• Monoisotopic Mass: 383.14005464
• SMILES: n1nc(oc1CCc1ccccc1)CCC(=O)NC(c1ccc(cc1)Cl)C
• Canonical SMILES: O=C(NC(c1ccc(cc1)Cl)C)CCc1nnc(o1)CCc1ccccc1
• InChI: InChI=1S/C21H22ClN3O2/c1-15(17-8-10-18(22)11-9-17)23-19(26)12-14-21-25-24-20(27-21)13-7-16-5-3-2-4-6-16/h2-6,8-11,15H,7,12-14H2,1H3,(H,23,26)
• InChIKey: APEQYGOHCFBLTM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(4-chlorophenyl)ethyl]-3-[5-(2-phenylethyl)-1,3,4-oxadiazol-2-yl]propanamide
• IUPAC Traditional name: N-[1-(4-chlorophenyl)ethyl]-3-[5-(2-phenylethyl)-1,3,4-oxadiazol-2-yl]propanamide
• Synonyms: N-[1-(4-chlorophenyl)ethyl]-3-[5-(2-phenylethyl)-1,3,4-oxadiazol-2-yl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.172065
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.4664125
• LogD (pH = 7.4): 3.4664125
• Log P: 3.4664125
• Molar Refractivity: 106.6363 cm^3
• Polarizability: 40.433693 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: 2.36
• LOG S: -6.31
• Polar Surface Area: 68.02 Å^2
• Rotatable Bonds: 8