6-Tert-Butyl-3-Propan-2-Yl-1H-[1,2]Oxazolo[4,3-e]Pyrimidin-4-One
[CAS# 38897-15-3]

Identification

• Name: 6-Tert-Butyl-3-Propan-2-Yl-1H-[1,2]Oxazolo[4,3-e]Pyrimidin-4-One
• Synonyms: 6-Tert-Butyl-3-Isopropyl-1H-Isoxazolo[4,3-E]Pyrimidin-4-One; Isoxazolo(3,4-D)Pyrimidin-4(1H)-One, 6-(1,1-Dimethylethyl)-3-(1-Methylethyl)-
• Molecular Formula: C₁₂H₁₇N₃O₂
• Molecular Weight: 235.29
• CAS Registry Number: 38897-15-3
• SMILES: CC(C2=NC(=O)C1=C(ONC1=N2)C(C)C)(C)C
• InChI: 1S/C12H17N3O2/c1-6(2)8-7-9(15-17-8)13-11(12(3,4)5)14-10(7)16/h6H,1-5H3,(H,13,14,15,16)
• InChIKey: FFNWKRYKSXEVFM-UHFFFAOYSA-N

Properties

• Density: 1.253g/cm³ (Cal.)
• Boiling point: 315.742°C at 760 mmHg (Cal.)
• Flash point: 144.756°C (Cal.)