N-(cyanomethyl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
Chemical Structure Depiction of
N-(cyanomethyl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
N-(cyanomethyl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
Compound characteristics
| Compound ID: | Y510-5047 |
| Compound Name: | N-(cyanomethyl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide |
| Molecular Weight: | 310.14 |
| Molecular Formula: | C13 H9 Cl2 N3 O2 |
| Smiles: | Cc1c(C(NCC#N)=O)c(c2c(cccc2[Cl])[Cl])no1 |
| Stereo: | ACHIRAL |
| logP: | 1.976 |
| logD: | 1.976 |
| logSw: | -2.8876 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.217 |
| InChI Key: | HBOBLVHNTLADRA-UHFFFAOYSA-N |