N-(4-tert-butyl-2-nitrophenyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
Chemical Structure Depiction of
N-(4-tert-butyl-2-nitrophenyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
N-(4-tert-butyl-2-nitrophenyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
Compound characteristics
| Compound ID: | K213-0031 |
| Compound Name: | N-(4-tert-butyl-2-nitrophenyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide |
| Molecular Weight: | 413.86 |
| Molecular Formula: | C21 H20 Cl N3 O4 |
| Smiles: | Cc1c(C(Nc2ccc(cc2[N+]([O-])=O)C(C)(C)C)=O)c(c2ccccc2[Cl])no1 |
| Stereo: | ACHIRAL |
| logP: | 5.4827 |
| logD: | 4.9988 |
| logSw: | -5.9524 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.673 |
| InChI Key: | KKSOKZAWZKSVEW-UHFFFAOYSA-N |