(3,5-Dimethyl-1,2-oxazol-4-yl){4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl}methanone
[CAS# 866789-39-1]

Identification

• Name: (3,5-Dimethyl-1,2-oxazol-4-yl){4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl}methanone
• Synonyms: Methanone, (3,5-dimethyl-4-isoxazolyl)[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-; Methanone,(3,5-dimethyl-4-isoxazolyl)[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-; ZINC06977472
• Molecular Formula: C₁₇H₁₇F₃N₄O₄
• Molecular Weight: 398.34
• CAS Registry Number: 866789-39-1
• SMILES: O=C(c1c(onc1C)C)N3CCN(c2ccc(cc2[N+]([O-])=O)C(F)(F)F)CC3
• InChI: 1S/C17H17F3N4O4/c1-10-15(11(2)28-21-10)16(25)23-7-5-22(6-8-23)13-4-3-12(17(18,19)20)9-14(13)24(26)27/h3-4,9H,5-8H2,1-2H3
• InChIKey: LJTICHFRUOMKSZ-UHFFFAOYSA-N

Properties

• Density: 1.404g/cm³ (Cal.)
• Boiling point: 562.353°C at 760 mmHg (Cal.)
• Flash point: 293.901°C (Cal.)
• Refractive index: 1.556 (Cal.)