KB3
Summary
| Name: | (5M)-5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-amine |
| Formula: | C9 H9 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 191.187 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (5M)-5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-amine |
| OpenEye OEToolkits | 2.0.7 | 5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Nc1nnc(o1)c1ccccc1OC |
| InChI | InChI | 1.06 | InChI=1S/C9H9N3O2/c1-13-7-5-3-2-4-6(7)8-11-12-9(10)14-8/h2-5H,1H3,(H2,10,12) |
| InChIKey | InChI | 1.06 | HTILGWBWTPTFES-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccccc1c2oc(N)nn2 |
| SMILES | CACTVS | 3.385 | COc1ccccc1c2oc(N)nn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccccc1c2nnc(o2)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccccc1c2nnc(o2)N |
