6-{5-[4-(propan-2-yl)phenyl]-1,2,4-oxadiazol-3-yl}-4-propyl-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-{5-[4-(propan-2-yl)phenyl]-1,2,4-oxadiazol-3-yl}-4-propyl-2H-1,4-benzoxazin-3(4H)-one
6-{5-[4-(propan-2-yl)phenyl]-1,2,4-oxadiazol-3-yl}-4-propyl-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | L834-1145 |
| Compound Name: | 6-{5-[4-(propan-2-yl)phenyl]-1,2,4-oxadiazol-3-yl}-4-propyl-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 377.44 |
| Molecular Formula: | C22 H23 N3 O3 |
| Smiles: | CCCN1C(COc2ccc(cc12)c1nc(c2ccc(cc2)C(C)C)on1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2687 |
| logD: | 5.2687 |
| logSw: | -5.2417 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.724 |
| InChI Key: | XJUHOMBFKKDSOJ-UHFFFAOYSA-N |