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

• ChemBase ID: 649766
• Molecular Formular: C15H17F2N3O3
• Molecular Mass: 325.3105864
• Monoisotopic Mass: 325.12379786
• SMILES: c1(nnc(o1)CC)CN(C(=O)COc1c(cc(cc1)F)F)CC
• Canonical SMILES: CCN(C(=O)COc1ccc(cc1F)F)Cc1nnc(o1)CC
• InChI: InChI=1S/C15H17F2N3O3/c1-3-13-18-19-14(23-13)8-20(4-2)15(21)9-22-12-6-5-10(16)7-11(12)17/h5-7H,3-4,8-9H2,1-2H3
• InChIKey: OZYISSIGYCPOIP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.505844
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.178859
• LogD (pH = 7.4): 1.1788591
• Log P: 1.1788591
• Molar Refractivity: 79.3356 cm^3
• Polarizability: 29.287739 Å^3
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.71
• LOG S: -3.03
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 7