5-Methyl-N⁴-(1,3-Thiazol-2-Yl)-1,2-Oxazole-3,4-Dicarboxamide
[CAS# 338408-95-0]

Identification

• Name: 5-Methyl-N⁴-(1,3-Thiazol-2-Yl)-1,2-Oxazole-3,4-Dicarboxamide
• Synonyms: 5-methyl-N⁴-(1,3-thiazol-2-yl)-3,4-isoxazoledicarboxamide; 5-methyl-N4-(thiazol-2-yl)isoxazole-3,4-dicarboxamide; MFCD00664756
• Molecular Formula: C₉H₈N₄O₃S
• Molecular Weight: 252.25
• CAS Registry Number: 338408-95-0
• SMILES: CC1=C(C(=NO1)C(=O)N)C(=O)NC2=NC=CS2
• InChI: 1S/C9H8N4O3S/c1-4-5(6(7(10)14)13-16-4)8(15)12-9-11-2-3-17-9/h2-3H,1H3,(H2,10,14)(H,11,12,15)
• InChIKey: OXSKIHCDHQSZBA-UHFFFAOYSA-N

Properties

• Density: 1.6±0.1g/cm³ (Cal.)
• Melting point: 297-299°C (Expl.)
• Refractive index: 1.683 (Cal.)

References

• (1): Chen, Y and Shoichet BK. Molecular docking and ligand specificity in fragment-based inhibitor design, Nature Chemical Biology, 2009