4-(2-oxo-1,3-benzoxazol-3(2H)-yl)butanenitrile
Chemical Structure Depiction of
4-(2-oxo-1,3-benzoxazol-3(2H)-yl)butanenitrile
4-(2-oxo-1,3-benzoxazol-3(2H)-yl)butanenitrile
Compound characteristics
| Compound ID: | 8012-2353 |
| Compound Name: | 4-(2-oxo-1,3-benzoxazol-3(2H)-yl)butanenitrile |
| Molecular Weight: | 202.21 |
| Molecular Formula: | C11 H10 N2 O2 |
| Smiles: | C(CC#N)CN1C(=O)Oc2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 0.8387 |
| logD: | 0.8387 |
| logSw: | -1.3858 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 40.809 |
| InChI Key: | LIAAFJQABIRXNT-UHFFFAOYSA-N |