N-{3,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-4-nitro-5-(propan-2-yl)-1,2-oxazole-3-carboxamide
Chemical Structure Depiction of
N-{3,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-4-nitro-5-(propan-2-yl)-1,2-oxazole-3-carboxamide
N-{3,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-4-nitro-5-(propan-2-yl)-1,2-oxazole-3-carboxamide
Compound characteristics
| Compound ID: | C582-0960 |
| Compound Name: | N-{3,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-4-nitro-5-(propan-2-yl)-1,2-oxazole-3-carboxamide |
| Molecular Weight: | 397.43 |
| Molecular Formula: | C20 H23 N5 O4 |
| Smiles: | CC(C)c1c(c(C(Nc2c(C)nn(Cc3ccc(C)cc3)c2C)=O)no1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.9858 |
| logD: | 2.9182 |
| logSw: | -3.3119 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.806 |
| InChI Key: | QPYOVIGUYYFZQP-UHFFFAOYSA-N |