| CAS Number | 1803567-05-6 |
| Catalog Number | AG01BGXP |
| Chemical Name | N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]acetamide; trifluoroacetic acid |
| IUPAC Name | N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]acetamide;2,2,2-trifluoroacetic acid |
| InChI | InChI=1S/C9H14N4O2.C2HF3O2/c1-6(14)12-9(3-4-10-5-9)8-11-7(2)15-13-8;3-2(4,5)1(6)7/h10H,3-5H2,1-2H3,(H,12,14);(H,6,7) |
| InChI Key | URWVMXQFDYQADU-UHFFFAOYSA-N |
| MDL Number | MFCD28125300 |
| Molecular Formula | C11H15F3N4O4 |
| Molecular Weight | 324.2564 |
| SMILES | CC(NC1(C2N=C(C)ON=2)CNCC1)=O.OC(C(F)(F)F)=O |
| Synonyms | N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]acetamide, trifluoroacetic acid,
1803567-05-6,
AKOS034076390,
EN300-192956,
|
| Complexity | 344 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 324.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 10 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 324.26g/mol |
| Monoisotopic Mass | 324.105g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 117A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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