N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-4-nitro-5-(propan-2-yl)-1,2-oxazole-3-carboxamide
Chemical Structure Depiction of
N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-4-nitro-5-(propan-2-yl)-1,2-oxazole-3-carboxamide
N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-4-nitro-5-(propan-2-yl)-1,2-oxazole-3-carboxamide
Compound characteristics
| Compound ID: | C582-0958 |
| Compound Name: | N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-4-nitro-5-(propan-2-yl)-1,2-oxazole-3-carboxamide |
| Molecular Weight: | 383.41 |
| Molecular Formula: | C19 H21 N5 O4 |
| Smiles: | CC(C)c1c(c(C(Nc2c(C)nn(Cc3ccccc3)c2C)=O)no1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.5625 |
| logD: | 2.4948 |
| logSw: | -2.8264 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.806 |
| InChI Key: | WAOOSGZXHACTDB-UHFFFAOYSA-N |