5-methyl-N-{1-[(2-methylphenyl)methyl]-1H-pyrazol-3-yl}-4-[(4-nitrophenoxy)methyl]-1,2-oxazole-3-carboxamide
Chemical Structure Depiction of
5-methyl-N-{1-[(2-methylphenyl)methyl]-1H-pyrazol-3-yl}-4-[(4-nitrophenoxy)methyl]-1,2-oxazole-3-carboxamide
5-methyl-N-{1-[(2-methylphenyl)methyl]-1H-pyrazol-3-yl}-4-[(4-nitrophenoxy)methyl]-1,2-oxazole-3-carboxamide
Compound characteristics
| Compound ID: | Y501-1892 |
| Compound Name: | 5-methyl-N-{1-[(2-methylphenyl)methyl]-1H-pyrazol-3-yl}-4-[(4-nitrophenoxy)methyl]-1,2-oxazole-3-carboxamide |
| Molecular Weight: | 447.45 |
| Molecular Formula: | C23 H21 N5 O5 |
| Smiles: | Cc1ccccc1Cn1ccc(NC(c2c(COc3ccc(cc3)[N+]([O-])=O)c(C)on2)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.4253 |
| logD: | 4.4067 |
| logSw: | -4.3103 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 101.126 |
| InChI Key: | SAGOEOJCRDGGNA-UHFFFAOYSA-N |