9LK
Summary
| Name: | ~{N}-[6-(4-chloranylphenoxy)pyridin-3-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide |
| Formula: | C17 H14 Cl N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 343.764 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | ~{N}-[6-(4-chloranylphenoxy)pyridin-3-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H14ClN3O3/c1-10-16(23-11(2)20-10)17(22)21-13-5-8-15(19-9-13)24-14-6-3-12(18)4-7-14/h3-9H,1-2H3,(H,21,22) |
| InChIKey | InChI | 1.03 | NKGOFWDSBBVHLO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1oc(c(C)n1)C(=O)Nc2ccc(Oc3ccc(Cl)cc3)nc2 |
| SMILES | CACTVS | 3.385 | Cc1oc(c(C)n1)C(=O)Nc2ccc(Oc3ccc(Cl)cc3)nc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1c(oc(n1)C)C(=O)Nc2ccc(nc2)Oc3ccc(cc3)Cl |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1c(oc(n1)C)C(=O)Nc2ccc(nc2)Oc3ccc(cc3)Cl |
