5-[4-Phenyl-5-(Trifluoromethyl)-2-Thienyl]-3-[3-(Trifluoromethyl)Phenyl]-1,2,4-Oxadiazole
[CAS 256414-75-2]

Identification

• Name: 5-[4-Phenyl-5-(Trifluoromethyl)-2-Thienyl]-3-[3-(Trifluoromethyl)Phenyl]-1,2,4-Oxadiazole
• Synonyms: "5-[4-phenyl-5-(trifluoromethyl)-2-thienyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole"; [256414-75-2]; 5-(4-Phenyl-5-(trifluoromethyl)thiophen-2-yl)-3-(3-(trifluoromethyl)phenyl)-1,2,4-oxadiazole
• Molecular Formula: C₂₀H₁₀F₆N₂OS
• Molecular Weight: 440.36
• CAS Registry Number: 256414-75-2
• SMILES: C1=CC=C(C=C1)C2=C(SC(=C2)C3=NC(=NO3)C4=CC(=CC=C4)C(F)(F)F)C(F)(F)F
• InChI: 1S/C20H10F6N2OS/c21-19(22,23)13-8-4-7-12(9-13)17-27-18(29-28-17)15-10-14(11-5-2-1-3-6-11)16(30-15)20(24,25)26/h1-10H
• InChIKey: OYMNPJXKQVTQTR-UHFFFAOYSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 490.3±55.0°C at 760 mmHg (Cal.)
• Flash point: 250.3±31.5°C (Cal.)
• Refractive index: 1.535 (Cal.)
• solubility: Soluble to 20 mM in DMSO and to 20 mM in ethanol

Safety Data

• Safety Description: IRRITANT

References

• (1): Sanna et al.. Enhancement of capillary leakage and restoration of lymphocyte egress by a chiral S1P1 antagonist in vivo, Nature Chemical Biology, 2006