6-Nitro-2-(Propan-2-Yloxymethyl)-2,3-Dihydroimidazo[2,1-b][1,3]Oxazole
[CAS# 127692-19-7]

Identification

• Name: 6-Nitro-2-(Propan-2-Yloxymethyl)-2,3-Dihydroimidazo[2,1-b][1,3]Oxazole
• Synonyms: 2-(Isopropoxymethyl)-6-Nitro-2,3-Dihydroimidazo[2,1-B]Oxazole; Aids059080; Imidazo[2,1-B]Oxazole, 2,3-Dihydro-2-[(1-Methylethoxy)Methyl]-6-Nitro-
• Molecular Formula: C₉H₁₃N₃O₄
• Molecular Weight: 227.22
• CAS Registry Number: 127692-19-7
• SMILES: C1=C(N=C2OC(C[N]12)COC(C)C)[N+]([O-])=O
• InChI: 1S/C9H13N3O4/c1-6(2)15-5-7-3-11-4-8(12(13)14)10-9(11)16-7/h4,6-7H,3,5H2,1-2H3
• InChIKey: XRBPBOLVLSOSGX-UHFFFAOYSA-N

Properties

• Density: 1.489g/cm³ (Cal.)
• Boiling point: 365.434°C at 760 mmHg (Cal.)
• Flash point: 174.808°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