(3,5-Dimethyl-1,2-oxazol-4-yl){4-[4-(methylsulfonyl)-2-nitrophenyl]-1-piperazinyl}methanone
[CAS# 887351-05-5]

Identification

• Name: (3,5-Dimethyl-1,2-oxazol-4-yl){4-[4-(methylsulfonyl)-2-nitrophenyl]-1-piperazinyl}methanone
• Synonyms: Methanone, (3,5-dimethyl-4-isoxazolyl)[4-[4-(methylsulfonyl)-2-nitrophenyl]-1-piperazinyl]-; Methanone,(3,5-dimethyl-4-isoxazolyl)[4-[4-(methylsulfonyl)-2-nitrophenyl]-1-piperazinyl]-
• Molecular Formula: C₁₇H₂₀N₄O₆S
• Molecular Weight: 408.43
• CAS Registry Number: 887351-05-5
• SMILES: Cc1c(c(on1)C)C(=O)N2CCN(CC2)c3ccc(cc3[N+](=O)[O-])S(=O)(=O)C
• InChI: 1S/C17H20N4O6S/c1-11-16(12(2)27-18-11)17(22)20-8-6-19(7-9-20)14-5-4-13(28(3,25)26)10-15(14)21(23)24/h4-5,10H,6-9H2,1-3H3
• InChIKey: ICMUUYZUPDAHQD-UHFFFAOYSA-N

Properties

• Density: 1.399g/cm³ (Cal.)
• Boiling point: 698.597°C at 760 mmHg (Cal.)
• Flash point: 376.298°C (Cal.)
• Refractive index: 1.596 (Cal.)