O8G
Summary
| Name: | 1-(azidoacetyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidine |
| Synonyms: | 2-azido-1-[4-(3-thiophen-2-yl-[1,2,4]oxadiazol-5-yl)-piperidin-1-yl]-ethanone |
| Formula: | C13 H14 N6 O2 S |
| Formal charge: | 0 |
| Formula weight: | 318.354 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-azido-1-{4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}ethanone |
| OpenEye OEToolkits | 1.7.0 | 2-azido-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | [N-]=[N+]=N\CC(=O)N3CCC(c1onc(n1)c2sccc2)CC3 |
| SMILES_CANONICAL | CACTVS | 3.370 | [N-]=[N+]=NCC(=O)N1CCC(CC1)c2onc(n2)c3sccc3 |
| SMILES | CACTVS | 3.370 | [N-]=[N+]=NCC(=O)N1CCC(CC1)c2onc(n2)c3sccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc(sc1)c2nc(on2)C3CCN(CC3)C(=O)CN=[N+]=[N-] |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1cc(sc1)c2nc(on2)C3CCN(CC3)C(=O)CN=[N+]=[N-] |
| InChI | InChI | 1.03 | InChI=1S/C13H14N6O2S/c14-18-15-8-11(20)19-5-3-9(4-6-19)13-16-12(17-21-13)10-2-1-7-22-10/h1-2,7,9H,3-6,8H2 |
| InChIKey | InChI | 1.03 | RJFYHVFZGWNOBV-UHFFFAOYSA-N |
