N-(3-chloro-4-fluorophenyl)-4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
N-(3-chloro-4-fluorophenyl)-4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
Compound characteristics
| Compound ID: | Y501-0551 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide |
| Molecular Weight: | 407.79 |
| Molecular Formula: | C17 H15 Cl F N5 O4 |
| Smiles: | Cc1c(c(C)n(Cc2c(C(Nc3ccc(c(c3)[Cl])F)=O)noc2C)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.9808 |
| logD: | 2.8862 |
| logSw: | -3.6332 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.623 |
| InChI Key: | QCJLVAQTRWEDTG-UHFFFAOYSA-N |