N-(2-cyanoethyl)-N-phenyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
Chemical Structure Depiction of
N-(2-cyanoethyl)-N-phenyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
N-(2-cyanoethyl)-N-phenyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
Compound characteristics
| Compound ID: | E920-0800 |
| Compound Name: | N-(2-cyanoethyl)-N-phenyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide |
| Molecular Weight: | 295.34 |
| Molecular Formula: | C17 H17 N3 O2 |
| Smiles: | C1CCc2c(C1)c(C(N(CCC#N)c1ccccc1)=O)no2 |
| Stereo: | ACHIRAL |
| logP: | 2.3088 |
| logD: | 2.3088 |
| logSw: | -2.3711 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 55.731 |
| InChI Key: | ROCYXONFEALCEY-UHFFFAOYSA-N |