N-methyl-N-[(4-methyl-1H-imidazol-2-yl)methyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide

• ChemBase ID: 432061
• Molecular Formular: C11H16N4O3
• Molecular Mass: 252.26974
• Monoisotopic Mass: 252.12224039
• SMILES: C1(=O)N(CC(=O)N(Cc2nc(c[nH]2)C)C)CCO1
• Canonical SMILES: CN(C(=O)CN1CCOC1=O)Cc1nc(c[nH]1)C
• InChI: InChI=1S/C11H16N4O3/c1-8-5-12-9(13-8)6-14(2)10(16)7-15-3-4-18-11(15)17/h5H,3-4,6-7H2,1-2H3,(H,12,13)
• InChIKey: VJNXMJHXRADAMT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-[(4-methyl-1H-imidazol-2-yl)methyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
• IUPAC Traditional name: N-methyl-N-[(4-methyl-1H-imidazol-2-yl)methyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
• Synonyms: N-methyl-N-[(4-methyl-1H-imidazol-2-yl)methyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.999525
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.834711
• LogD (pH = 7.4): -1.2254525
• Log P: -1.2062374
• Molar Refractivity: 63.1 cm^3
• Polarizability: 24.287312 Å^3
• Polar Surface Area: 78.53 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.73
• LOG S: -1.73
• Polar Surface Area: 78.53 Å^2
• Rotatable Bonds: 4