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

• ChemBase ID: 577188
• Molecular Formular: C22H24FN3O2
• Molecular Mass: 381.4432632
• Monoisotopic Mass: 381.18525524
• SMILES: n1nc(oc1CCc1ccccc1)CCC(=O)NC(c1ccc(cc1)F)CC
• Canonical SMILES: CCC(c1ccc(cc1)F)NC(=O)CCc1nnc(o1)CCc1ccccc1
• InChI: InChI=1S/C22H24FN3O2/c1-2-19(17-9-11-18(23)12-10-17)24-20(27)13-15-22-26-25-21(28-22)14-8-16-6-4-3-5-7-16/h3-7,9-12,19H,2,8,13-15H2,1H3,(H,24,27)
• InChIKey: ZWOZHQWBHIVCPP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.244562
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.5275922
• LogD (pH = 7.4): 3.5275922
• Log P: 3.5275922
• Molar Refractivity: 106.5719 cm^3
• Polarizability: 40.07053 Å^3
• Polar Surface Area: 68.02 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.32
• LOG S: -6.05
• Polar Surface Area: 68.02 Å^2
• Rotatable Bonds: 8