2-(4-chlorophenyl)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-hydroxy-N-methylacetamide

• ChemBase ID: 701223
• Molecular Formular: C15H17ClN2O3
• Molecular Mass: 308.76008
• Monoisotopic Mass: 308.09277009
• SMILES: C(=O)(N(Cc1onc(c1)CC)C)C(c1ccc(cc1)Cl)O
• Canonical SMILES: CCc1noc(c1)CN(C(=O)C(c1ccc(cc1)Cl)O)C
• InChI: InChI=1S/C15H17ClN2O3/c1-3-12-8-13(21-17-12)9-18(2)15(20)14(19)10-4-6-11(16)7-5-10/h4-8,14,19H,3,9H2,1-2H3
• InChIKey: NJPQORPISQAHHH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-chlorophenyl)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-hydroxy-N-methylacetamide
• IUPAC Traditional name: 2-(4-chlorophenyl)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-hydroxy-N-methylacetamide
• Synonyms: 2-(4-chlorophenyl)-N-[(3-ethylisoxazol-5-yl)methyl]-2-hydroxy-N-methylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.410586
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.9812121
• LogD (pH = 7.4): 1.9812112
• Log P: 1.9812155
• Molar Refractivity: 80.2747 cm^3
• Polarizability: 30.615086 Å^3
• Polar Surface Area: 66.57 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.74
• LOG S: -2.94
• Polar Surface Area: 66.57 Å^2
• Rotatable Bonds: 5