3-[2-(5-Nitro-2-furanyl)ethenyl]-1,2,4-Oxadiazol-5-amine
[CAS 21959-57-9]

Identification

• Name: 3-[2-(5-Nitro-2-furanyl)ethenyl]-1,2,4-Oxadiazol-5-amine
• Synonyms: 3-[(E)-2-(5-Nitrofuran-2-Yl)Ethenyl]-1,2,4-Oxadiazol-5-Amine; 3-[(E)-2-(5-Nitro-2-Furyl)Vinyl]-1,2,4-Oxadiazol-5-Amine; 3-[2-(5-Nitro-2-Furyl)Vinyl]-1,2,4-Oxadiazol-5-Amine
• Molecular Formula: C₈H₆N₄O₄
• Molecular Weight: 222.16
• CAS Registry Number: 21959-57-9
• SMILES: C1=C(OC(=C1)/C=C/C2=NOC(=N2)N)[N+](=O)[O-]
• InChI: 1S/C8H6N4O4/c9-8-10-6(11-16-8)3-1-5-2-4-7(15-5)12(13)14/h1-4H,(H2,9,10,11)/b3-1+
• InChIKey: RMZNNIOKNRDECR-HNQUOIGGSA-N

Properties

• Density: 1.601g/cm³ (Cal.)
• Boiling point: 440.697°C at 760 mmHg (Cal.)
• Flash point: 220.326°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