STX
Summary
| Name: | 1-(5-TERT-BUTYL-1,3,4-OXADIAZOL-2-YL)-2-(METHYLAMINO)ETHANONE |
| Synonyms: | 2-SARCOSINYL-5-TERT-BUTYL-[1,3,4]-OXADIAZOLE |
| Formula: | C9 H15 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 197.234 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-2-(methylamino)ethanone |
| OpenEye OEToolkits | 1.5.0 | 1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-2-methylamino-ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(c1nnc(o1)C(C)(C)C)CNC |
| SMILES_CANONICAL | CACTVS | 3.341 | CNCC(=O)c1oc(nn1)C(C)(C)C |
| SMILES | CACTVS | 3.341 | CNCC(=O)c1oc(nn1)C(C)(C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)(C)c1nnc(o1)C(=O)CNC |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)(C)c1nnc(o1)C(=O)CNC |
| InChI | InChI | 1.03 | InChI=1S/C9H15N3O2/c1-9(2,3)8-12-11-7(14-8)6(13)5-10-4/h10H,5H2,1-4H3 |
| InChIKey | InChI | 1.03 | CLBJJWUUSJAAPJ-UHFFFAOYSA-N |
