N-(4-cyanophenyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
Chemical Structure Depiction of
N-(4-cyanophenyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
N-(4-cyanophenyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
Compound characteristics
| Compound ID: | C226-3369 |
| Compound Name: | N-(4-cyanophenyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide |
| Molecular Weight: | 267.28 |
| Molecular Formula: | C15 H13 N3 O2 |
| Smiles: | C1CCc2c(C1)c(C(Nc1ccc(C#N)cc1)=O)no2 |
| Stereo: | ACHIRAL |
| logP: | 2.4904 |
| logD: | 2.486 |
| logSw: | -2.9335 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.786 |
| InChI Key: | FRBDRJWVFCGOJF-UHFFFAOYSA-N |