A1JEZ
Summary
| Name: | 2-(4-chlorophenyl)-5-[(3~{S})-pyrrolidin-3-yl]-1,3,4-oxadiazole |
| Formula: | C12 H12 Cl N3 O |
| Formal charge: | 0 |
| Formula weight: | 249.696 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-(4-chlorophenyl)-5-[(3~{S})-pyrrolidin-3-yl]-1,3,4-oxadiazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C12H12ClN3O/c13-10-3-1-8(2-4-10)11-15-16-12(17-11)9-5-6-14-7-9/h1-4,9,14H,5-7H2/t9-/m0/s1 |
| InChIKey | InChI | 1.06 | VHJVJWRMODPOQH-VIFPVBQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1ccc(cc1)c2oc(nn2)[C@H]3CCNC3 |
| SMILES | CACTVS | 3.385 | Clc1ccc(cc1)c2oc(nn2)[CH]3CCNC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1c2nnc(o2)[C@H]3CCNC3)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1c2nnc(o2)C3CCNC3)Cl |
