N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-(furan-2-yl)-N-methyl-2-oxoacetamide

• ChemBase ID: 674833
• Molecular Formular: C13H14N2O4
• Molecular Mass: 262.26126
• Monoisotopic Mass: 262.09535694
• SMILES: C(=O)(C(=O)N(Cc1onc(c1)CC)C)c1occc1
• Canonical SMILES: CCc1noc(c1)CN(C(=O)C(=O)c1ccco1)C
• InChI: InChI=1S/C13H14N2O4/c1-3-9-7-10(19-14-9)8-15(2)13(17)12(16)11-5-4-6-18-11/h4-7H,3,8H2,1-2H3
• InChIKey: SMMMRHAHKRGDHD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-(furan-2-yl)-N-methyl-2-oxoacetamide
• IUPAC Traditional name: N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-(furan-2-yl)-N-methyl-2-oxoacetamide
• Synonyms: N-[(3-ethylisoxazol-5-yl)methyl]-2-(2-furyl)-N-methyl-2-oxoacetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.032066
• LogD (pH = 7.4): 1.0320692
• Log P: 1.0320693
• Molar Refractivity: 67.4127 cm^3
• Polarizability: 25.105537 Å^3
• Polar Surface Area: 76.55 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.02
• LOG S: -2.44
• Polar Surface Area: 76.55 Å^2
• Rotatable Bonds: 5