N-[[3-(4-Acetylphenyl)-2-Oxo-1,3-Oxazolidin-5-Yl]Methyl]Acetamide
[CAS# 104421-21-8]

Identification

• Name: N-[[3-(4-Acetylphenyl)-2-Oxo-1,3-Oxazolidin-5-Yl]Methyl]Acetamide
• Synonyms: N-[[3-(4-Acetylphenyl)-2-Oxo-Oxazolidin-5-Yl]Methyl]Acetamide; N-[[3-(4-Acetylphenyl)-2-Oxo-5-Oxazolidinyl]Methyl]Acetamide; N-[[3-(4-Acetylphenyl)-2-Keto-Oxazolidin-5-Yl]Methyl]Acetamide
• Molecular Formula: C₁₄H₁₆N₂O₄
• Molecular Weight: 276.29
• CAS Registry Number: 104421-21-8
• SMILES: C1=CC(=CC=C1N2CC(CNC(C)=O)OC2=O)C(C)=O
• InChI: 1S/C14H16N2O4/c1-9(17)11-3-5-12(6-4-11)16-8-13(20-14(16)19)7-15-10(2)18/h3-6,13H,7-8H2,1-2H3,(H,15,18)
• InChIKey: POXUJOYUVLWPQN-UHFFFAOYSA-N

Properties

• Density: 1.239g/cm³ (Cal.)
• Boiling point: 525.199°C at 760 mmHg (Cal.)
• Flash point: 271.431°C (Cal.)

References

• (1): Philip Prathipati, Ngai Ling Ma* and Thomas H. Keller. Global Bayesian Models for the Prioritization of Antitubercular Agents, J. Chem. Inf. Model., 2008, 48 (12), pp 2362–2370