2,6-difluoro-3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-(propan-2-yl)benzamide

• ChemBase ID: 513272
• Molecular Formular: C15H17F2N3O2
• Molecular Mass: 309.3111864
• Monoisotopic Mass: 309.12888324
• SMILES: C(=O)(c1c(c(ccc1F)C)F)N(Cc1nc(on1)C)C(C)C
• Canonical SMILES: Cc1onc(n1)CN(C(=O)c1c(F)ccc(c1F)C)C(C)C
• InChI: InChI=1S/C15H17F2N3O2/c1-8(2)20(7-12-18-10(4)22-19-12)15(21)13-11(16)6-5-9(3)14(13)17/h5-6,8H,7H2,1-4H3
• InChIKey: UUJIJHRQUJAQCR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-difluoro-3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-(propan-2-yl)benzamide
• IUPAC Traditional name: 2,6-difluoro-N-isopropyl-3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
• Synonyms: 2,6-difluoro-N-isopropyl-3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.0007365
• LogD (pH = 7.4): 3.0007365
• Log P: 3.0007365
• Molar Refractivity: 78.7513 cm^3
• Polarizability: 28.274172 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: 2.14
• LOG S: -2.66
• Polar Surface Area: 59.23 Å^2
• Rotatable Bonds: 3