2-{5-[(4-bromophenoxy)methyl]furan-2-yl}-5-{[(pyridin-3-yl)methyl]amino}-1,3-oxazole-4-carbonitrile
Chemical Structure Depiction of
2-{5-[(4-bromophenoxy)methyl]furan-2-yl}-5-{[(pyridin-3-yl)methyl]amino}-1,3-oxazole-4-carbonitrile
2-{5-[(4-bromophenoxy)methyl]furan-2-yl}-5-{[(pyridin-3-yl)methyl]amino}-1,3-oxazole-4-carbonitrile
Compound characteristics
| Compound ID: | D561-0775 |
| Compound Name: | 2-{5-[(4-bromophenoxy)methyl]furan-2-yl}-5-{[(pyridin-3-yl)methyl]amino}-1,3-oxazole-4-carbonitrile |
| Molecular Weight: | 451.28 |
| Molecular Formula: | C21 H15 Br N4 O3 |
| Smiles: | C(c1cccnc1)Nc1c(C#N)nc(c2ccc(COc3ccc(cc3)[Br])o2)o1 |
| Stereo: | ACHIRAL |
| logP: | 3.9044 |
| logD: | 3.8897 |
| logSw: | -3.9546 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.864 |
| InChI Key: | DBRZPZIWXMNBCI-UHFFFAOYSA-N |