A1JE8
Summary
| Name: | (3~{R},5~{S})-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol |
| Formula: | C12 H12 F N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 249.241 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (3~{R},5~{S})-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C12H12FN3O2/c13-8-3-1-7(2-4-8)11-15-12(18-16-11)10-5-9(17)6-14-10/h1-4,9-10,14,17H,5-6H2/t9-,10+/m1/s1 |
| InChIKey | InChI | 1.06 | FZFUFKCKPSCCJC-ZJUUUORDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@H]1CN[C@@H](C1)c2onc(n2)c3ccc(F)cc3 |
| SMILES | CACTVS | 3.385 | O[CH]1CN[CH](C1)c2onc(n2)c3ccc(F)cc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1c2nc(on2)[C@@H]3C[C@H](CN3)O)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1c2nc(on2)C3CC(CN3)O)F |
