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

• ChemBase ID: 571877
• Molecular Formular: C20H20FN3O2
• Molecular Mass: 353.3901032
• Monoisotopic Mass: 353.15395512
• SMILES: n1nc(oc1CCc1ccccc1)CCC(=O)NCc1ccc(F)cc1
• Canonical SMILES: O=C(NCc1ccc(cc1)F)CCc1nnc(o1)CCc1ccccc1
• InChI: InChI=1S/C20H20FN3O2/c21-17-9-6-16(7-10-17)14-22-18(25)11-13-20-24-23-19(26-20)12-8-15-4-2-1-3-5-15/h1-7,9-10H,8,11-14H2,(H,22,25)
• InChIKey: HTYSMLHFBZDDTQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.186774
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.5884948
• LogD (pH = 7.4): 2.5884948
• Log P: 2.5884948
• Molar Refractivity: 97.6291 cm^3
• Polarizability: 36.39834 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: 1.48
• LOG S: -5.32
• Polar Surface Area: 68.02 Å^2
• Rotatable Bonds: 8