6QH
Summary
| Name: | 5-(3-chloranyl-4-methoxy-phenyl)-~{N}-[3-(1,2,4-triazol-1-yl)propyl]-1,3-oxazole-4-carboxamide |
| Formula: | C16 H16 Cl N5 O3 |
| Formal charge: | 0 |
| Formula weight: | 361.783 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | 5-(3-chloranyl-4-methoxy-phenyl)-~{N}-[3-(1,2,4-triazol-1-yl)propyl]-1,3-oxazole-4-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H16ClN5O3/c1-24-13-4-3-11(7-12(13)17)15-14(20-10-25-15)16(23)19-5-2-6-22-9-18-8-21-22/h3-4,7-10H,2,5-6H2,1H3,(H,19,23) |
| InChIKey | InChI | 1.03 | RQFYFNAGNBUGFC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cc1Cl)c2ocnc2C(=O)NCCCn3cncn3 |
| SMILES | CACTVS | 3.385 | COc1ccc(cc1Cl)c2ocnc2C(=O)NCCCn3cncn3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | COc1ccc(cc1Cl)c2c(nco2)C(=O)NCCCn3cncn3 |
| SMILES | OpenEye OEToolkits | 2.0.5 | COc1ccc(cc1Cl)c2c(nco2)C(=O)NCCCn3cncn3 |
