(4E)-2-phenyl-4-[(2-piperidin-1-ylquinolin-3-yl)methylidene]-1,3-oxazol-5-one
Formula:C24H21N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4E)-2-phenyl-4-[(2-piperidin-1-ylquinolin-3-yl)methylidene]-1,3-oxazol-5-one is a drug-like molecule.
| MolName | (4E)-2-phenyl-4-[(2-piperidin-1-ylquinolin-3-yl)methylidene]-1,3-oxazol-5-one |
| MolecularFormula | C24H21N3O2 |
| Smiles | O=C1OC(c2ccccc2)=N/C1=C/c1cc2ccccc2nc1N1CCCCC1 |
| InChI | InChI=1S/C24H21N3O2/c28-24-21(26-23(29-24)17-9-3-1-4-10-17)16-19-15-18-11-5-6-12-20(18)25-22(19)27-13-7-2-8-14-27/h1,3-6,9-12,15-16H,2,7-8,13-14H2 |
| InChIK | PEAHFQUJZBEDLM-UHFFFAOYSA-N |
| TotalMolweight | 383.45 |
| Molweight | 383.45 |
| MonoisotopicMass | 383.163377 |
| CLogP | 4.0922 |
| CLogS | -6.142 |
| H Acceptors | 5 |
| TotalSurfaceArea | 293.91 |
| Relative PSA | 0.16696 |
| PolarSurfaceArea | 54.79 |
| Druglikeness | 1.3492 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48276 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (4E)-2-phenyl-4-[(2-piperidin-1-ylquinolin-3-yl)methylidene]-1,3-oxazol-5-one | 2 - (4E)-2-phenyl-4-[(2-piperidin-1-ylquinolin-3-yl)methylidene]-1,3-oxazol-5-one
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