N-(cyanomethyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
Chemical Structure Depiction of
N-(cyanomethyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
N-(cyanomethyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
Compound characteristics
| Compound ID: | Y030-6404 |
| Compound Name: | N-(cyanomethyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide |
| Molecular Weight: | 241.25 |
| Molecular Formula: | C13 H11 N3 O2 |
| Smiles: | Cc1c(C(NCC#N)=O)c(c2ccccc2)no1 |
| Stereo: | ACHIRAL |
| logP: | 1.1187 |
| logD: | 1.1187 |
| logSw: | -1.9281 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.217 |
| InChI Key: | SSGZUDBUXVAPPD-UHFFFAOYSA-N |