5-(4-benzylpiperazin-1-yl)-2-[(E)-2-phenylethenyl]-1,3-oxazole-4-carbonitrile
Formula:C23H22N4O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-(4-benzylpiperazin-1-yl)-2-[(E)-2-phenylethenyl]-1,3-oxazole-4-carbonitrile is a drug-like molecule.
| MolName | 5-(4-benzylpiperazin-1-yl)-2-[(E)-2-phenylethenyl]-1,3-oxazole-4-carbonitrile |
| MolecularFormula | C23H22N4O |
| Smiles | N#Cc1c(N2CCN(Cc3ccccc3)CC2)oc(/C=C/c2ccccc2)n1 |
| InChI | InChI=1S/C23H22N4O/c24-17-21-23(28-22(25-21)12-11-19-7-3-1-4-8-19)27-15-13-26(14-16-27)18-20-9-5-2-6-10-20/h1-12H,13-16,18H2 |
| InChIK | PKTNQRPHEXGLRQ-UHFFFAOYSA-N |
| TotalMolweight | 370.455 |
| Molweight | 370.455 |
| MonoisotopicMass | 370.179361 |
| CLogP | 3.766 |
| CLogS | -4.735 |
| H Acceptors | 5 |
| TotalSurfaceArea | 305.34 |
| Relative PSA | 0.1498 |
| PolarSurfaceArea | 56.3 |
| Druglikeness | 0.03583 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 7 |
| Symmetricatoms | 6 |
| Amines | 1 |
| AlkylAmines | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 5-(4-benzylpiperazin-1-yl)-2-[(E)-2-phenylethenyl]-1,3-oxazole-4-carbonitrile | 2 - 5-(4-benzylpiperazin-1-yl)-2-[(E)-2-phenylethenyl]-1,3-oxazole-4-carbonitrile
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