2-[(E)-2-phenylethenyl]-5-(4-phenylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile
Formula:C22H20N4O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-phenylethenyl]-5-(4-phenylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile is a drug-like molecule.
| MolName | 2-[(E)-2-phenylethenyl]-5-(4-phenylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile |
| MolecularFormula | C22H20N4O |
| Smiles | N#Cc1c(N(CC2)CCN2c2ccccc2)oc(/C=C/c2ccccc2)n1 |
| InChI | InChI=1S/C22H20N4O/c23-17-20-22(27-21(24-20)12-11-18-7-3-1-4-8-18)26-15-13-25(14-16-26)19-9-5-2-6-10-19/h1-12H,13-16H2 |
| InChIK | PWYRTRMHCOTJJA-UHFFFAOYSA-N |
| TotalMolweight | 356.428 |
| Molweight | 356.428 |
| MonoisotopicMass | 356.163711 |
| CLogP | 3.8431 |
| CLogS | -5.257 |
| H Acceptors | 5 |
| TotalSurfaceArea | 291.58 |
| Relative PSA | 0.15687 |
| PolarSurfaceArea | 56.3 |
| Druglikeness | -0.9206 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 5 |
| Symmetricatoms | 6 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-[(E)-2-phenylethenyl]-5-(4-phenylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile | 2 - 2-[(E)-2-phenylethenyl]-5-(4-phenylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile
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