1-{[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl}-4-phenylpyrrolidin-2-one

• ChemBase ID: 845323
• Molecular Formular: C19H16FN3O2
• Molecular Mass: 337.3476432
• Monoisotopic Mass: 337.12265499
• SMILES: N1(C(=O)CC(C1)c1ccccc1)Cc1oc(nn1)c1cc(F)ccc1
• Canonical SMILES: Fc1cccc(c1)c1nnc(o1)CN1CC(CC1=O)c1ccccc1
• InChI: InChI=1S/C19H16FN3O2/c20-16-8-4-7-14(9-16)19-22-21-17(25-19)12-23-11-15(10-18(23)24)13-5-2-1-3-6-13/h1-9,15H,10-12H2
• InChIKey: UHHPRLSWQSPXDX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl}-4-phenylpyrrolidin-2-one
• IUPAC Traditional name: 1-{[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl}-4-phenylpyrrolidin-2-one
• Synonyms: 1-{[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl}-4-phenylpyrrolidin-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.089395
• LogD (pH = 7.4): 2.089395
• Log P: 2.089395
• Molar Refractivity: 101.9044 cm^3
• Polarizability: 34.665607 Å^3
• Polar Surface Area: 59.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.05
• LOG S: -3.41
• Polar Surface Area: 59.23 Å^2
• Rotatable Bonds: 4