2-(3,5-difluorophenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]acetamide

• ChemBase ID: 607795
• Molecular Formular: C12H11F2N3O2
• Molecular Mass: 267.2314464
• Monoisotopic Mass: 267.08193305
• SMILES: n1nc(oc1CNC(=O)Cc1cc(cc(c1)F)F)C
• Canonical SMILES: O=C(Cc1cc(F)cc(c1)F)NCc1nnc(o1)C
• InChI: InChI=1S/C12H11F2N3O2/c1-7-16-17-12(19-7)6-15-11(18)4-8-2-9(13)5-10(14)3-8/h2-3,5H,4,6H2,1H3,(H,15,18)
• InChIKey: CKBIPHSKSJQPMI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3,5-difluorophenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
• IUPAC Traditional name: 2-(3,5-difluorophenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
• Synonyms: 2-(3,5-difluorophenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.842331
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.21527366
• LogD (pH = 7.4): 0.21513653
• Log P: 0.21527545
• Molar Refractivity: 63.8232 cm^3
• Polarizability: 23.103004 Å^3
• Polar Surface Area: 68.02 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.47
• LOG S: -1.55
• Polar Surface Area: 68.02 Å^2
• Rotatable Bonds: 4