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

• ChemBase ID: 776282
• Molecular Formular: C16H17N3O3S
• Molecular Mass: 331.38948
• Monoisotopic Mass: 331.09906242
• SMILES: n1c(scc1CN(C(=O)CN1C(=O)OCC1)C)c1ccccc1
• Canonical SMILES: CN(C(=O)CN1CCOC1=O)Cc1csc(n1)c1ccccc1
• InChI: InChI=1S/C16H17N3O3S/c1-18(14(20)10-19-7-8-22-16(19)21)9-13-11-23-15(17-13)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3
• InChIKey: IMZURTVNILFYOF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 18.359272
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.472623
• LogD (pH = 7.4): 1.4727294
• Log P: 1.4727309
• Molar Refractivity: 96.0145 cm^3
• Polarizability: 33.682182 Å^3
• Polar Surface Area: 62.74 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.85
• LOG S: -3.2
• Polar Surface Area: 62.74 Å^2
• Rotatable Bonds: 5