(4E)-2-(4-fluorophenyl)-4-[(2-morpholin-4-ylquinolin-3-yl)methylidene]-1,3-oxazol-5-one
Formula:C23H18N3O3F
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(4E)-2-(4-fluorophenyl)-4-[(2-morpholin-4-ylquinolin-3-yl)methylidene]-1,3-oxazol-5-one is a drug-like molecule.
| MolName | (4E)-2-(4-fluorophenyl)-4-[(2-morpholin-4-ylquinolin-3-yl)methylidene]-1,3-oxazol-5-one |
| MolecularFormula | C23H18N3O3F |
| Smiles | O=C1OC(c(cc2)ccc2F)=N/C1=C/c1cc2ccccc2nc1N1CCOCC1 |
| InChI | InChI=1S/C23H18FN3O3/c24-18-7-5-15(6-8-18)22-26-20(23(28)30-22)14-17-13-16-3-1-2-4-19(16)25-21(17)27-9-11-29-12-10-27/h1-8,13-14H,9-12H2 |
| InChIK | JBLJBOSEFFCGIB-UHFFFAOYSA-N |
| TotalMolweight | 403.412 |
| Molweight | 403.412 |
| MonoisotopicMass | 403.13322 |
| CLogP | 3.029 |
| CLogS | -5.567 |
| H Acceptors | 6 |
| TotalSurfaceArea | 296.5 |
| Relative PSA | 0.19922 |
| PolarSurfaceArea | 64.02 |
| Druglikeness | 0.9124 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| 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-(4-fluorophenyl)-4-[(2-morpholin-4-ylquinolin-3-yl)methylidene]-1,3-oxazol-5-one | 2 - (4E)-2-(4-fluorophenyl)-4-[(2-morpholin-4-ylquinolin-3-yl)methylidene]-1,3-oxazol-5-one
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