5-(benzylamino)-2-{5-[(4-bromophenoxy)methyl]furan-2-yl}-1,3-oxazole-4-carbonitrile
Chemical Structure Depiction of
5-(benzylamino)-2-{5-[(4-bromophenoxy)methyl]furan-2-yl}-1,3-oxazole-4-carbonitrile
5-(benzylamino)-2-{5-[(4-bromophenoxy)methyl]furan-2-yl}-1,3-oxazole-4-carbonitrile
Compound characteristics
| Compound ID: | D561-0511 |
| Compound Name: | 5-(benzylamino)-2-{5-[(4-bromophenoxy)methyl]furan-2-yl}-1,3-oxazole-4-carbonitrile |
| Molecular Weight: | 450.29 |
| Molecular Formula: | C22 H16 Br N3 O3 |
| Smiles: | C(c1ccccc1)Nc1c(C#N)nc(c2ccc(COc3ccc(cc3)[Br])o2)o1 |
| Stereo: | ACHIRAL |
| logP: | 5.1321 |
| logD: | 5.1321 |
| logSw: | -5.4532 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.347 |
| InChI Key: | HINLMKNKQATHOI-UHFFFAOYSA-N |