5-(benzylamino)-2-(4-nitrophenyl)-1,3-oxazole-4-carbonitrile
Chemical Structure Depiction of
5-(benzylamino)-2-(4-nitrophenyl)-1,3-oxazole-4-carbonitrile
5-(benzylamino)-2-(4-nitrophenyl)-1,3-oxazole-4-carbonitrile
Compound characteristics
| Compound ID: | 1491-0946 |
| Compound Name: | 5-(benzylamino)-2-(4-nitrophenyl)-1,3-oxazole-4-carbonitrile |
| Molecular Weight: | 320.31 |
| Molecular Formula: | C17 H12 N4 O3 |
| Smiles: | C(c1ccccc1)Nc1c(C#N)nc(c2ccc(cc2)[N+]([O-])=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 3.2776 |
| logD: | 3.2776 |
| logSw: | -3.4934 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.659 |
| InChI Key: | VLACAXLSXHOPOU-UHFFFAOYSA-N |