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

• ChemBase ID: 582066
• Molecular Formular: C12H17N3O3S
• Molecular Mass: 283.34668
• Monoisotopic Mass: 283.09906242
• SMILES: c1(nc(cs1)C)C(N(C(=O)CN1C(=O)OCC1)C)C
• Canonical SMILES: CN(C(=O)CN1CCOC1=O)C(c1nc(cs1)C)C
• InChI: InChI=1S/C12H17N3O3S/c1-8-7-19-11(13-8)9(2)14(3)10(16)6-15-4-5-18-12(15)17/h7,9H,4-6H2,1-3H3
• InChIKey: WVFVQAMOLLIURU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 18.320211
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.13966314
• LogD (pH = 7.4): 0.13978799
• Log P: 0.13978958
• Molar Refractivity: 69.8475 cm^3
• Polarizability: 27.100882 Å^3
• Polar Surface Area: 62.74 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.09
• LOG S: -2.2
• Polar Surface Area: 62.74 Å^2
• Rotatable Bonds: 4