A1CYF
Summary
| Name: | 3-(5-methyl-1,2,4-oxadiazol-3-yl)aniline |
| Formula: | C9 H9 N3 O |
| Formal charge: | 0 |
| Formula weight: | 175.187 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 3-(5-methyl-1,2,4-oxadiazol-3-yl)aniline |
| OpenEye OEToolkits | 3.1.0.0 | 3-(5-methyl-1,2,4-oxadiazol-3-yl)aniline |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Nc1cccc(c1)c1nc(C)on1 |
| InChI | InChI | 1.06 | InChI=1S/C9H9N3O/c1-6-11-9(12-13-6)7-3-2-4-8(10)5-7/h2-5H,10H2,1H3 |
| InChIKey | InChI | 1.06 | CTRGRIHPFAVSOF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1onc(n1)c2cccc(N)c2 |
| SMILES | CACTVS | 3.385 | Cc1onc(n1)c2cccc(N)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cc1nc(no1)c2cccc(c2)N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cc1nc(no1)c2cccc(c2)N |
