N-[1-(4-fluorophenyl)propyl]-3-{5-[2-(2-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl}propanamide

• ChemBase ID: 452473
• Molecular Formular: C23H26FN3O3
• Molecular Mass: 411.4692432
• Monoisotopic Mass: 411.19581993
• SMILES: n1nc(oc1CCc1c(OC)cccc1)CCC(=O)NC(c1ccc(cc1)F)CC
• Canonical SMILES: CCC(c1ccc(cc1)F)NC(=O)CCc1nnc(o1)CCc1ccccc1OC
• InChI: InChI=1S/C23H26FN3O3/c1-3-19(16-8-11-18(24)12-9-16)25-21(28)13-15-23-27-26-22(30-23)14-10-17-6-4-5-7-20(17)29-2/h4-9,11-12,19H,3,10,13-15H2,1-2H3,(H,25,28)
• InChIKey: KXJQTYIOCAKFPL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.160169
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.3699207
• LogD (pH = 7.4): 3.3699207
• Log P: 3.369921
• Molar Refractivity: 113.0351 cm^3
• Polarizability: 42.605747 Å^3
• Polar Surface Area: 77.25 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.23
• LOG S: -6.06
• Polar Surface Area: 77.25 Å^2
• Rotatable Bonds: 8