3,3,3-trifluoro-2-methoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-phenylpropanamide

• ChemBase ID: 743349
• Molecular Formular: C15H15F3N2O3
• Molecular Mass: 328.2864096
• Monoisotopic Mass: 328.10347701
• SMILES: C(C(F)(F)F)(C(=O)NCc1noc(c1)C)(c1ccccc1)OC
• Canonical SMILES: COC(C(F)(F)F)(c1ccccc1)C(=O)NCc1noc(c1)C
• InChI: InChI=1S/C15H15F3N2O3/c1-10-8-12(20-23-10)9-19-13(21)14(22-2,15(16,17)18)11-6-4-3-5-7-11/h3-8H,9H2,1-2H3,(H,19,21)
• InChIKey: OLJWVCKAWZDXBC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,3,3-trifluoro-2-methoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-phenylpropanamide
• IUPAC Traditional name: 3,3,3-trifluoro-2-methoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-phenylpropanamide
• Synonyms: 3,3,3-trifluoro-2-methoxy-N-[(5-methyl-3-isoxazolyl)methyl]-2-phenylpropanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 8.281203
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.356164
• LogD (pH = 7.4): 2.3096244
• Log P: 2.3568015
• Molar Refractivity: 76.2708 cm^3
• Polarizability: 28.202755 Å^3
• Polar Surface Area: 64.36 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.01
• LOG S: -3.46
• Polar Surface Area: 64.36 Å^2
• Rotatable Bonds: 4