N-(4-cyanophenyl)-5-methyl-4-nitro-1,2-oxazole-3-carboxamide
Chemical Structure Depiction of
N-(4-cyanophenyl)-5-methyl-4-nitro-1,2-oxazole-3-carboxamide
N-(4-cyanophenyl)-5-methyl-4-nitro-1,2-oxazole-3-carboxamide
Compound characteristics
| Compound ID: | C582-0767 |
| Compound Name: | N-(4-cyanophenyl)-5-methyl-4-nitro-1,2-oxazole-3-carboxamide |
| Molecular Weight: | 272.22 |
| Molecular Formula: | C12 H8 N4 O4 |
| Smiles: | Cc1c(c(C(Nc2ccc(C#N)cc2)=O)no1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.7448 |
| logD: | 1.4753 |
| logSw: | -2.2891 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.397 |
| InChI Key: | UEEVMEJYSBUVDY-UHFFFAOYSA-N |