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| IUPAC Name: | 5-(Trifluoromethyl)-2-(chloromethyl)-1,3,4-oxadiazole |
| Description: | 2-(chloromethyl)-5-(trifluoromethyl)-1,3,4-oxadiazole is an impurity of Sitagliptin. Sitagliptin is an dipeptidyl peptidase-4 (DPP-4) inhibitor for treatment of diabetes mellitus type 2. |
| Molecular Weight: | 186.52 |
| Molecular Formula: | C4H2ClF3N2O |
| Canonical SMILES: | C(C1=NN=C(O1)C(F)(F)F)Cl |
| InChI: | InChI=1S/C4H2ClF3N2O/c5-1-2-9-10-3(11-2)4(6,7)8/h1H2 |
| InChI Key: | GPXSXZGMVOSWMN-UHFFFAOYSA-N |
| Boiling Point: | 144.3 °C at 760 mmHg |
| Purity: | 98.0 % |
| Density: | 1.555 g/cm3 |
| Solubility: | Soluble in Chloroform, Dichloromethane, Ethyl Acetate, Methanol |
| Appearance: | Colorless to pale brown oil |
| Storage: | Store at 2-8 °C |
| LogP: | 1.82720 |
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Oxadiazole/Thiadiazole
Ethyl 3-(2-(3-cyclopropyl-5-(trifluoromethyl)pyrazol-1-yl)ethyl)-1,2,4-oxadiazole-5-carboxylate
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