909673-70-7 Purity
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The molecular formula is C19H16F3N5O2.
The molecular weight is 403.4 g/mol.
The IUPAC name is [4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[6-(trifluoromethyl)pyridin-3-yl]methanone.
The InChI is InChI=1S/C19H16F3N5O2/c20-19(21,22)15-4-3-14(11-24-15)18(28)27-8-5-12(6-9-27)17-25-16(26-29-17)13-2-1-7-23-10-13/h1-4,7,10-12H,5-6,8-9H2.
The InChIKey is AJJSQQIRJUAMFF-UHFFFAOYSA-N.
The canonical SMILES is C1CN(CCC1C2=NC(=NO2)C3=CN=CC=C3)C(=O)C4=CN=C(C=C4)C(F)(F)F.
The CAS number is 909675-40-7.
The compound has 0 hydrogen bond donor counts.
The topological polar surface area is 85 Å2.
Yes, the compound is canonicalized.