N-(dimethyl-1,2-oxazol-4-yl)-2-(trifluoromethyl)morpholine-4-carboxamide

• ChemBase ID: 603999
• Molecular Formular: C11H14F3N3O3
• Molecular Mass: 293.2423696
• Monoisotopic Mass: 293.09872598
• SMILES: c1(NC(=O)N2CC(C(F)(F)F)OCC2)c(onc1C)C
• Canonical SMILES: O=C(N1CCOC(C1)C(F)(F)F)Nc1c(C)noc1C
• InChI: InChI=1S/C11H14F3N3O3/c1-6-9(7(2)20-16-6)15-10(18)17-3-4-19-8(5-17)11(12,13)14/h8H,3-5H2,1-2H3,(H,15,18)
• InChIKey: MVPAMWQHPUTONY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(dimethyl-1,2-oxazol-4-yl)-2-(trifluoromethyl)morpholine-4-carboxamide
• IUPAC Traditional name: N-(dimethyl-1,2-oxazol-4-yl)-2-(trifluoromethyl)morpholine-4-carboxamide
• Synonyms: N-(3,5-dimethylisoxazol-4-yl)-2-(trifluoromethyl)morpholine-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.701103
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.816586
• LogD (pH = 7.4): 0.8163961
• Log P: 0.8166025
• Molar Refractivity: 64.7691 cm^3
• Polarizability: 22.908257 Å^3
• Polar Surface Area: 67.6 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.25
• LOG S: -2.86
• Polar Surface Area: 67.6 Å^2
• Rotatable Bonds: 2