N-(2H-1,3-benzodioxol-5-yl)-5-methyl-4-nitro-1,2-oxazole-3-carboxamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-5-methyl-4-nitro-1,2-oxazole-3-carboxamide
N-(2H-1,3-benzodioxol-5-yl)-5-methyl-4-nitro-1,2-oxazole-3-carboxamide
Compound characteristics
| Compound ID: | C582-0773 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-5-methyl-4-nitro-1,2-oxazole-3-carboxamide |
| Molecular Weight: | 291.22 |
| Molecular Formula: | C12 H9 N3 O6 |
| Smiles: | Cc1c(c(C(Nc2ccc3c(c2)OCO3)=O)no1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.9234 |
| logD: | 1.8822 |
| logSw: | -2.686 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.456 |
| InChI Key: | OATUWBJZTFRCCO-UHFFFAOYSA-N |