2,6-difluoro-3-methoxy-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]benzamide

• ChemBase ID: 617561
• Molecular Formular: C14H14F2N2O3
• Molecular Mass: 296.2693664
• Monoisotopic Mass: 296.09724876
• SMILES: C(=O)(c1c(c(ccc1F)OC)F)N(C(c1nocc1)C)C
• Canonical SMILES: COc1ccc(c(c1F)C(=O)N(C(c1ccon1)C)C)F
• InChI: InChI=1S/C14H14F2N2O3/c1-8(10-6-7-21-17-10)18(2)14(19)12-9(15)4-5-11(20-3)13(12)16/h4-8H,1-3H3
• InChIKey: BAWFQKODKIJRHF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-difluoro-3-methoxy-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]benzamide
• IUPAC Traditional name: 2,6-difluoro-3-methoxy-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]benzamide
• Synonyms: 2,6-difluoro-N-(1-isoxazol-3-ylethyl)-3-methoxy-N-methylbenzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.1382253
• LogD (pH = 7.4): 2.1382256
• Log P: 2.1382256
• Molar Refractivity: 71.8521 cm^3
• Polarizability: 26.334541 Å^3
• Polar Surface Area: 55.57 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: 0.31
• LOG S: -2.94
• Polar Surface Area: 55.57 Å^2
• Rotatable Bonds: 4