3M4
Summary
| Name: | 4-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridine |
| Formula: | C15 H13 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 267.283 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridine |
| OpenEye OEToolkits | 1.7.0 | 5-(2-ethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n3ccc(c1nc(on1)c2ccccc2OCC)cc3 |
| SMILES_CANONICAL | CACTVS | 3.370 | CCOc1ccccc1c2onc(n2)c3ccncc3 |
| SMILES | CACTVS | 3.370 | CCOc1ccccc1c2onc(n2)c3ccncc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CCOc1ccccc1c2nc(no2)c3ccncc3 |
| SMILES | OpenEye OEToolkits | 1.7.0 | CCOc1ccccc1c2nc(no2)c3ccncc3 |
| InChI | InChI | 1.03 | InChI=1S/C15H13N3O2/c1-2-19-13-6-4-3-5-12(13)15-17-14(18-20-15)11-7-9-16-10-8-11/h3-10H,2H2,1H3 |
| InChIKey | InChI | 1.03 | KGGKTXHZJKALQU-UHFFFAOYSA-N |
