LD7
Summary
| Name: | 3-ethyl-N-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide |
| Formula: | C12 H12 F N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 249.241 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-ethyl-N-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide |
| OpenEye OEToolkits | 2.0.6 | 3-ethyl-~{N}-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n2oc(C(NCc1ccc(F)cc1)=O)nc2CC |
| InChI | InChI | 1.03 | InChI=1S/C12H12FN3O2/c1-2-10-15-12(18-16-10)11(17)14-7-8-3-5-9(13)6-4-8/h3-6H,2,7H2,1H3,(H,14,17) |
| InChIKey | InChI | 1.03 | FNKOMHDIZVWDKR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCc1noc(n1)C(=O)NCc2ccc(F)cc2 |
| SMILES | CACTVS | 3.385 | CCc1noc(n1)C(=O)NCc2ccc(F)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCc1nc(on1)C(=O)NCc2ccc(cc2)F |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCc1nc(on1)C(=O)NCc2ccc(cc2)F |
