6-[5-(3-bromophenyl)-1,2,4-oxadiazol-3-yl]-3-(propan-2-yl)-1,3-benzoxazol-2(3H)-one
Chemical Structure Depiction of
6-[5-(3-bromophenyl)-1,2,4-oxadiazol-3-yl]-3-(propan-2-yl)-1,3-benzoxazol-2(3H)-one
6-[5-(3-bromophenyl)-1,2,4-oxadiazol-3-yl]-3-(propan-2-yl)-1,3-benzoxazol-2(3H)-one
Compound characteristics
| Compound ID: | M355-0899 |
| Compound Name: | 6-[5-(3-bromophenyl)-1,2,4-oxadiazol-3-yl]-3-(propan-2-yl)-1,3-benzoxazol-2(3H)-one |
| Molecular Weight: | 400.23 |
| Molecular Formula: | C18 H14 Br N3 O3 |
| Smiles: | CC(C)N1C(=O)Oc2cc(ccc12)c1nc(c2cccc(c2)[Br])on1 |
| Stereo: | ACHIRAL |
| logP: | 5.2309 |
| logD: | 5.2309 |
| logSw: | -5.2097 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 54.465 |
| InChI Key: | CYIQLBHMXIVSHO-UHFFFAOYSA-N |