3-[(4-{3-[6-(Trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl}-1-piperidinyl)carbonyl]benzonitrile
[CAS# 909675-88-3]

Identification

• Name: 3-[(4-{3-[6-(Trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl}-1-piperidinyl)carbonyl]benzonitrile
• Synonyms: 3-[(4-{3-[6-(trifluoromethyl)pyridin-3-yl]-1,2,4-oxadiazol-5-yl}piperidin-1-yl)carbonyl]benzonitrile
• Molecular Formula: C₂₁H₁₆F₃N₅O₂
• Molecular Weight: 427.38
• CAS Registry Number: 909675-88-3
• SMILES: N#Cc1cccc(c1)C(=O)N2CCC(CC2)c3nc(no3)c4cnc(cc4)C(F)(F)F
• InChI: 1S/C21H16F3N5O2/c22-21(23,24)17-5-4-16(12-26-17)18-27-19(31-28-18)14-6-8-29(9-7-14)20(30)15-3-1-2-13(10-15)11-25/h1-5,10,12,14H,6-9H2
• InChIKey: DDFLYLYLTQASTI-UHFFFAOYSA-N

Properties

• Density: 1.455g/cm³ (Cal.)
• Boiling point: 597.375°C at 760 mmHg (Cal.)
• Flash point: 315.081°C (Cal.)
• Refractive index: 1.605 (Cal.)