| MolName | (4E)-4-[(E)-3-(furan-2-yl)prop-2-enylidene]-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-one |
| MolecularFormula | C18H13NO3 |
| Smiles | O=C1OC(/C=C/c2ccccc2)=N/C1=C/C=C/c1ccco1 |
| InChI | InChI=1S/C18H13NO3/c20-18-16(10-4-8-15-9-5-13-21-15)19-17(22-18)12-11-14-6-2-1-3-7-14/h1-13H |
| InChIK | ZBVYRGYHZAXHOO-UHFFFAOYSA-N |
| TotalMolweight | 291.305 |
| Molweight | 291.305 |
| MonoisotopicMass | 291.089544 |
| CLogP | 2.7916 |
| CLogS | -4.283 |
| H Acceptors | 4 |
| TotalSurfaceArea | 237.64 |
| Relative PSA | 0.20476 |
| PolarSurfaceArea | 51.8 |
| Druglikeness | 0.81412 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - (4E)-4-[(E)-3-(furan-2-yl)prop-2-enylidene]-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-one | 2 - (4E)-4-[(E)-3-(furan-2-yl)prop-2-enylidene]-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-one