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

• ChemBase ID: 482625
• Molecular Formular: C22H24FN3O3
• Molecular Mass: 397.4426632
• Monoisotopic Mass: 397.18016986
• SMILES: n1nc(oc1CCc1ccc(cc1)OC)CCC(=O)NCCc1c(F)cccc1
• Canonical SMILES: COc1ccc(cc1)CCc1nnc(o1)CCC(=O)NCCc1ccccc1F
• InChI: InChI=1S/C22H24FN3O3/c1-28-18-9-6-16(7-10-18)8-12-21-25-26-22(29-21)13-11-20(27)24-15-14-17-4-2-3-5-19(17)23/h2-7,9-10H,8,11-15H2,1H3,(H,24,27)
• InChIKey: OWQYEFISDMHUBA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Rotatable Bonds: 9
• H Acceptors: 5
• H Donor: 1
• Log P: 1.47
• LOG S: -5.56
• Polar Surface Area: 77.25 Å^2

JChem

• Lipinski's Rule of Five: true
• Acid pKa: 14.4401865
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.7194846
• LogD (pH = 7.4): 2.7194846
• Log P: 2.7194846
• Molar Refractivity: 108.8473 cm^3
• Polarizability: 40.77181 Å^3
• Polar Surface Area: 77.25 Å^2
• Rotatable Bonds: 10