TJL
Summary
| Name: | 4-(1,2,4-oxadiazol-5-yl)aniline |
| Formula: | C8 H7 N3 O |
| Formal charge: | 0 |
| Formula weight: | 161.161 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-(1,2,4-oxadiazol-5-yl)aniline |
| OpenEye OEToolkits | 2.0.7 | 4-(1,2,4-oxadiazol-5-yl)aniline |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Nc1ccc(cc1)c1ncno1 |
| InChI | InChI | 1.06 | InChI=1S/C8H7N3O/c9-7-3-1-6(2-4-7)8-10-5-11-12-8/h1-5H,9H2 |
| InChIKey | InChI | 1.06 | LKIGQRFSSGGKQW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1ccc(cc1)c2oncn2 |
| SMILES | CACTVS | 3.385 | Nc1ccc(cc1)c2oncn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1c2ncno2)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1c2ncno2)N |
