T9X
Summary
| Name: | 5-(propan-2-yl)-3-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole |
| Formula: | C9 H15 N3 O |
| Formal charge: | 0 |
| Formula weight: | 181.235 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-(propan-2-yl)-3-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole |
| OpenEye OEToolkits | 2.0.7 | 5-propan-2-yl-3-[(2~{S})-pyrrolidin-2-yl]-1,2,4-oxadiazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC(C)c1nc(no1)C1NCCC1 |
| InChI | InChI | 1.06 | InChI=1S/C9H15N3O/c1-6(2)9-11-8(12-13-9)7-4-3-5-10-7/h6-7,10H,3-5H2,1-2H3/t7-/m0/s1 |
| InChIKey | InChI | 1.06 | WKTDGUSTKNDUEI-ZETCQYMHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)c1onc(n1)[C@@H]2CCCN2 |
| SMILES | CACTVS | 3.385 | CC(C)c1onc(n1)[CH]2CCCN2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)c1nc(no1)[C@@H]2CCCN2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)c1nc(no1)C2CCCN2 |
