ethyl 5-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]-1,2-oxazole-3-carboxylate
Chemical Structure Depiction of
ethyl 5-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]-1,2-oxazole-3-carboxylate
ethyl 5-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]-1,2-oxazole-3-carboxylate
Compound characteristics
| Compound ID: | 8020-4741 |
| Compound Name: | ethyl 5-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]-1,2-oxazole-3-carboxylate |
| Molecular Weight: | 267.2 |
| Molecular Formula: | C9 H9 N5 O5 |
| Smiles: | CCOC(c1cc(Cn2cnc(n2)[N+]([O-])=O)on1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8263 |
| logD: | 0.8263 |
| logSw: | -1.3259 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 98.365 |
| InChI Key: | XTFNSFOFHDFENG-UHFFFAOYSA-N |