| MolName | (4Z)-4-[[5-(2-fluorophenyl)furan-2-yl]methylidene]-2-phenyl-1,3-oxazol-5-one |
| MolecularFormula | C20H12NO3F |
| Smiles | O=C1OC(c2ccccc2)=N/C1=C\c1ccc(-c(cccc2)c2F)o1 |
| InChI | InChI=1S/C20H12FNO3/c21-16-9-5-4-8-15(16)18-11-10-14(24-18)12-17-20(23)25-19(22-17)13-6-2-1-3-7-13/h1-12H |
| InChIK | OKIWEQWATZNNCU-UHFFFAOYSA-N |
| TotalMolweight | 333.317 |
| Molweight | 333.317 |
| MonoisotopicMass | 333.080122 |
| CLogP | 3.6315 |
| CLogS | -5.693 |
| H Acceptors | 4 |
| TotalSurfaceArea | 250.75 |
| Relative PSA | 0.19406 |
| PolarSurfaceArea | 51.8 |
| Druglikeness | 0.54357 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - (4Z)-4-[[5-(2-fluorophenyl)furan-2-yl]methylidene]-2-phenyl-1,3-oxazol-5-one | 2 - (4Z)-4-[[5-(2-fluorophenyl)furan-2-yl]methylidene]-2-phenyl-1,3-oxazol-5-one