A1JEY
Summary
| Name: | 2-pyridin-4-yl-5-[(3~{S})-pyrrolidin-3-yl]-1,3,4-oxadiazole |
| Formula: | C11 H12 N4 O |
| Formal charge: | 0 |
| Formula weight: | 216.239 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-pyridin-4-yl-5-[(3~{S})-pyrrolidin-3-yl]-1,3,4-oxadiazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C11H12N4O/c1-4-12-5-2-8(1)10-14-15-11(16-10)9-3-6-13-7-9/h1-2,4-5,9,13H,3,6-7H2/t9-/m1/s1 |
| InChIKey | InChI | 1.06 | RBACDHUYCHTGCT-SECBINFHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C1C[C@@H](CN1)c2oc(nn2)c3ccncc3 |
| SMILES | CACTVS | 3.385 | C1C[CH](CN1)c2oc(nn2)c3ccncc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cnccc1c2nnc(o2)[C@H]3CCNC3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cnccc1c2nnc(o2)C3CCNC3 |
