5-(4-butanoylpiperazin-1-yl)-2-{5-[(4-methylphenoxy)methyl]furan-2-yl}-1,3-oxazole-4-carbonitrile
Chemical Structure Depiction of
5-(4-butanoylpiperazin-1-yl)-2-{5-[(4-methylphenoxy)methyl]furan-2-yl}-1,3-oxazole-4-carbonitrile
5-(4-butanoylpiperazin-1-yl)-2-{5-[(4-methylphenoxy)methyl]furan-2-yl}-1,3-oxazole-4-carbonitrile
Compound characteristics
| Compound ID: | D366-0076 |
| Compound Name: | 5-(4-butanoylpiperazin-1-yl)-2-{5-[(4-methylphenoxy)methyl]furan-2-yl}-1,3-oxazole-4-carbonitrile |
| Molecular Weight: | 434.49 |
| Molecular Formula: | C24 H26 N4 O4 |
| Smiles: | CCCC(N1CCN(CC1)c1c(C#N)nc(c2ccc(COc3ccc(C)cc3)o2)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2158 |
| logD: | 4.2158 |
| logSw: | -4.0278 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 71.024 |
| InChI Key: | NIBWDZJXOPBWDO-UHFFFAOYSA-N |