| CAS Number | 1609388-36-4 |
| Catalog Number | AG00J2Q9(AGN-PC-0WRAQ5) |
| Chemical Name | 2-{5-[(2S)-2-pyrrolidinyl]-1,2,4-oxadiazol-3-yl}pyridine trifluoroacetate |
| IUPAC Name | 3-pyridin-2-yl-5-pyrrolidin-2-yl-1,2,4-oxadiazole;2,2,2-trifluoroacetic acid |
| InChI | InChI=1S/C11H12N4O.C2HF3O2/c1-2-6-12-8(4-1)10-14-11(16-15-10)9-5-3-7-13-9;3-2(4,5)1(6)7/h1-2,4,6,9,13H,3,5,7H2;(H,6,7) |
| InChI Key | QVQBNLJZOKAZTI-UHFFFAOYSA-N |
| MDL Number | MFCD28024773 |
| Molecular Formula | C13H13F3N4O3 |
| Molecular Weight | 330.2625 |
| SMILES | N1=C([C@H]2NCCC2)ON=C1C1N=CC=CC=1.C(F)(F)(F)C(O)=O |
| Synonyms | (S)-3-(Pyridin-2-yl)-5-(pyrrolidin-2-yl)-1,2,4-oxadiazole 2,2,2-trifluoroacetate,
1609388-36-4,
2-(5-Pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)pyridine trifluoroacetate salt,
2-(5-Pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)pyridine trifluoroacetate salt, AldrichCPR,
|
| Complexity | 322 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 330.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 10 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 330.267g/mol |
| Monoisotopic Mass | 330.094g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 101A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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