2-{5-[(4-bromophenoxy)methyl]furan-2-yl}-5-[(prop-2-en-1-yl)amino]-1,3-oxazole-4-carbonitrile
Chemical Structure Depiction of
2-{5-[(4-bromophenoxy)methyl]furan-2-yl}-5-[(prop-2-en-1-yl)amino]-1,3-oxazole-4-carbonitrile
2-{5-[(4-bromophenoxy)methyl]furan-2-yl}-5-[(prop-2-en-1-yl)amino]-1,3-oxazole-4-carbonitrile
Compound characteristics
| Compound ID: | D561-0751 |
| Compound Name: | 2-{5-[(4-bromophenoxy)methyl]furan-2-yl}-5-[(prop-2-en-1-yl)amino]-1,3-oxazole-4-carbonitrile |
| Molecular Weight: | 400.23 |
| Molecular Formula: | C18 H14 Br N3 O3 |
| Smiles: | C=CCNc1c(C#N)nc(c2ccc(COc3ccc(cc3)[Br])o2)o1 |
| Stereo: | ACHIRAL |
| logP: | 4.2318 |
| logD: | 4.2318 |
| logSw: | -4.4408 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.46 |
| InChI Key: | IMPMPGILXPMPEK-UHFFFAOYSA-N |