2-(4-fluorophenyl)-N-methyl-N-{[5-(propan-2-yl)-1,2,4-oxadiazol-3-yl]methyl}benzamide

• ChemBase ID: 691864
• Molecular Formular: C20H20FN3O2
• Molecular Mass: 353.3901032
• Monoisotopic Mass: 353.15395512
• SMILES: n1c(noc1C(C)C)CN(C(=O)c1c(c2ccc(cc2)F)cccc1)C
• Canonical SMILES: Fc1ccc(cc1)c1ccccc1C(=O)N(Cc1noc(n1)C(C)C)C
• InChI: InChI=1S/C20H20FN3O2/c1-13(2)19-22-18(23-26-19)12-24(3)20(25)17-7-5-4-6-16(17)14-8-10-15(21)11-9-14/h4-11,13H,12H2,1-3H3
• InChIKey: MHSGMTLDXYACOO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-fluorophenyl)-N-methyl-N-{[5-(propan-2-yl)-1,2,4-oxadiazol-3-yl]methyl}benzamide
• IUPAC Traditional name: 2-(4-fluorophenyl)-N-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylbenzamide
• Synonyms: 4'-fluoro-N-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-biphenylcarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.436266
• LogD (pH = 7.4): 4.436266
• Log P: 4.436266
• Molar Refractivity: 98.6639 cm^3
• Polarizability: 37.585934 Å^3
• Polar Surface Area: 59.23 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.4
• LOG S: -3.83
• Polar Surface Area: 59.23 Å^2
• Rotatable Bonds: 5