5-(2H-1,3-benzodioxol-5-yl)-N-{1-[(4-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-1,2-oxazole-3-carboxamide
Chemical Structure Depiction of
5-(2H-1,3-benzodioxol-5-yl)-N-{1-[(4-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-1,2-oxazole-3-carboxamide
5-(2H-1,3-benzodioxol-5-yl)-N-{1-[(4-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-1,2-oxazole-3-carboxamide
Compound characteristics
| Compound ID: | C226-1249 |
| Compound Name: | 5-(2H-1,3-benzodioxol-5-yl)-N-{1-[(4-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-1,2-oxazole-3-carboxamide |
| Molecular Weight: | 450.88 |
| Molecular Formula: | C23 H19 Cl N4 O4 |
| Smiles: | Cc1c(c(C)n(Cc2ccc(cc2)[Cl])n1)NC(c1cc(c2ccc3c(c2)OCO3)on1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7434 |
| logD: | 3.7433 |
| logSw: | -4.3799 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.867 |
| InChI Key: | VUHMKNFFWGTAFD-UHFFFAOYSA-N |