3-(4-methylphenyl)-5-(phenylethynyl)-2,1-benzoxazole
Chemical Structure Depiction of
3-(4-methylphenyl)-5-(phenylethynyl)-2,1-benzoxazole
3-(4-methylphenyl)-5-(phenylethynyl)-2,1-benzoxazole
Compound characteristics
| Compound ID: | D136-0027 |
| Compound Name: | 3-(4-methylphenyl)-5-(phenylethynyl)-2,1-benzoxazole |
| Molecular Weight: | 309.37 |
| Molecular Formula: | C22 H15 N O |
| Smiles: | Cc1ccc(cc1)c1c2cc(C#Cc3ccccc3)ccc2no1 |
| Stereo: | ACHIRAL |
| logP: | 6.8635 |
| logD: | 6.8635 |
| logSw: | -5.9805 |
| Hydrogen bond acceptors count: | 2 |
| Polar surface area: | 21.4501 |
| InChI Key: | IYUDQVUOSCLAPZ-UHFFFAOYSA-N |