5-methyl-N-{1-[(2-methylphenyl)methyl]-1H-pyrazol-3-yl}-4-nitro-1,2-oxazole-3-carboxamide
Chemical Structure Depiction of
5-methyl-N-{1-[(2-methylphenyl)methyl]-1H-pyrazol-3-yl}-4-nitro-1,2-oxazole-3-carboxamide
5-methyl-N-{1-[(2-methylphenyl)methyl]-1H-pyrazol-3-yl}-4-nitro-1,2-oxazole-3-carboxamide
Compound characteristics
| Compound ID: | C582-0846 |
| Compound Name: | 5-methyl-N-{1-[(2-methylphenyl)methyl]-1H-pyrazol-3-yl}-4-nitro-1,2-oxazole-3-carboxamide |
| Molecular Weight: | 341.32 |
| Molecular Formula: | C16 H15 N5 O4 |
| Smiles: | Cc1ccccc1Cn1ccc(NC(c2c(c(C)on2)[N+]([O-])=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.9125 |
| logD: | 2.4444 |
| logSw: | -3.2153 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.297 |
| InChI Key: | XIRHULBHVNBURK-UHFFFAOYSA-N |