EHQ
Summary
| Name: | 3,5-dimethyl-4-(4-pyridin-4-yl-1~{H}-pyrazol-3-yl)-1,2-oxazole |
| Formula: | C13 H12 N4 O |
| Formal charge: | 0 |
| Formula weight: | 240.261 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 3,5-dimethyl-4-(4-pyridin-4-yl-1~{H}-pyrazol-3-yl)-1,2-oxazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H12N4O/c1-8-12(9(2)18-17-8)13-11(7-15-16-13)10-3-5-14-6-4-10/h3-7H,1-2H3,(H,15,16) |
| InChIKey | InChI | 1.03 | JYTPHNOPQGAILG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1onc(C)c1c2n[nH]cc2c3ccncc3 |
| SMILES | CACTVS | 3.385 | Cc1onc(C)c1c2n[nH]cc2c3ccncc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1c(c(on1)C)c2c(c[nH]n2)c3ccncc3 |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1c(c(on1)C)c2c(c[nH]n2)c3ccncc3 |
