2-(5,7-dimethyl-1,3-benzoxazol-2-yl)benzonitrile
Chemical Structure Depiction of
2-(5,7-dimethyl-1,3-benzoxazol-2-yl)benzonitrile
2-(5,7-dimethyl-1,3-benzoxazol-2-yl)benzonitrile
Compound characteristics
| Compound ID: | V030-1942 |
| Compound Name: | 2-(5,7-dimethyl-1,3-benzoxazol-2-yl)benzonitrile |
| Molecular Weight: | 248.28 |
| Molecular Formula: | C16 H12 N2 O |
| Salt: | not_available |
| Smiles: | Cc1cc(C)c2c(c1)nc(c1ccccc1C#N)o2 |
| Stereo: | ACHIRAL |
| logP: | 3.8243 |
| logD: | 3.8243 |
| logSw: | -3.9701 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 34.338 |
| InChI Key: | PNXWBMSTTLWREP-UHFFFAOYSA-N |