N-{1-[(2-methylphenyl)methyl]-1H-pyrazol-4-yl}-4-nitro-5-(propan-2-yl)-1,2-oxazole-3-carboxamide
Chemical Structure Depiction of
N-{1-[(2-methylphenyl)methyl]-1H-pyrazol-4-yl}-4-nitro-5-(propan-2-yl)-1,2-oxazole-3-carboxamide
N-{1-[(2-methylphenyl)methyl]-1H-pyrazol-4-yl}-4-nitro-5-(propan-2-yl)-1,2-oxazole-3-carboxamide
Compound characteristics
| Compound ID: | C582-0957 |
| Compound Name: | N-{1-[(2-methylphenyl)methyl]-1H-pyrazol-4-yl}-4-nitro-5-(propan-2-yl)-1,2-oxazole-3-carboxamide |
| Molecular Weight: | 369.38 |
| Molecular Formula: | C18 H19 N5 O4 |
| Smiles: | CC(C)c1c(c(C(Nc2cnn(Cc3ccccc3C)c2)=O)no1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.599 |
| logD: | 3.4469 |
| logSw: | -3.4839 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.425 |
| InChI Key: | RSKOKAUKLWCSTR-UHFFFAOYSA-N |