N-(3-chloro-4-fluorophenyl)-4-nitro-5-(propan-2-yl)-1,2-oxazole-3-carboxamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-4-nitro-5-(propan-2-yl)-1,2-oxazole-3-carboxamide
N-(3-chloro-4-fluorophenyl)-4-nitro-5-(propan-2-yl)-1,2-oxazole-3-carboxamide
Compound characteristics
| Compound ID: | C582-0874 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-4-nitro-5-(propan-2-yl)-1,2-oxazole-3-carboxamide |
| Molecular Weight: | 327.7 |
| Molecular Formula: | C13 H11 Cl F N3 O4 |
| Smiles: | CC(C)c1c(c(C(Nc2ccc(c(c2)[Cl])F)=O)no1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.803 |
| logD: | 2.4132 |
| logSw: | -4.3885 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.92 |
| InChI Key: | HLVVZHGMOCFBCE-UHFFFAOYSA-N |