4-({3-[4-(2-methylpropoxy)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
4-({3-[4-(2-methylpropoxy)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-2H-1,4-benzoxazin-3(4H)-one
4-({3-[4-(2-methylpropoxy)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | L111-0754 |
| Compound Name: | 4-({3-[4-(2-methylpropoxy)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 379.41 |
| Molecular Formula: | C21 H21 N3 O4 |
| Smiles: | CC(C)COc1ccc(cc1)c1nc(CN2C(COc3ccccc23)=O)on1 |
| Stereo: | ACHIRAL |
| logP: | 4.3256 |
| logD: | 4.3256 |
| logSw: | -4.3811 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 62.91 |
| InChI Key: | ZHPQDEWLIQOODY-UHFFFAOYSA-N |