5-(4-benzylpiperidin-1-yl)-2-[(E)-2-phenylethenyl]-1,3-oxazole-4-carbonitrile
Formula:C24H23N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-(4-benzylpiperidin-1-yl)-2-[(E)-2-phenylethenyl]-1,3-oxazole-4-carbonitrile is not a drug-like molecule.
| MolName | 5-(4-benzylpiperidin-1-yl)-2-[(E)-2-phenylethenyl]-1,3-oxazole-4-carbonitrile |
| MolecularFormula | C24H23N3O |
| Smiles | N#Cc1c(N2CCC(Cc3ccccc3)CC2)oc(/C=C/c2ccccc2)n1 |
| InChI | InChI=1S/C24H23N3O/c25-18-22-24(28-23(26-22)12-11-19-7-3-1-4-8-19)27-15-13-21(14-16-27)17-20-9-5-2-6-10-20/h1-12,21H,13-17H2 |
| InChIK | BWSHZNDGXBYORS-UHFFFAOYSA-N |
| TotalMolweight | 369.467 |
| Molweight | 369.467 |
| MonoisotopicMass | 369.184112 |
| CLogP | 5.1137 |
| CLogS | -6.094 |
| H Acceptors | 4 |
| TotalSurfaceArea | 307.54 |
| Relative PSA | 0.13719 |
| PolarSurfaceArea | 53.06 |
| Druglikeness | -1.1513 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 7 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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