(4Z)-4-benzylidene-2-(4-phenylmethoxyphenyl)-1,3-oxazol-5-one
Formula:C23H17NO3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4Z)-4-benzylidene-2-(4-phenylmethoxyphenyl)-1,3-oxazol-5-one is a drug-like molecule.
| MolName | (4Z)-4-benzylidene-2-(4-phenylmethoxyphenyl)-1,3-oxazol-5-one |
| MolecularFormula | C23H17NO3 |
| Smiles | O=C1OC(c(cc2)ccc2OCc2ccccc2)=N/C1=C\c1ccccc1 |
| InChI | InChI=1S/C23H17NO3/c25-23-21(15-17-7-3-1-4-8-17)24-22(27-23)19-11-13-20(14-12-19)26-16-18-9-5-2-6-10-18/h1-15H,16H2 |
| InChIK | PYDBKISPKQEIEX-UHFFFAOYSA-N |
| TotalMolweight | 355.392 |
| Molweight | 355.392 |
| MonoisotopicMass | 355.120844 |
| CLogP | 3.9399 |
| CLogS | -5.26 |
| H Acceptors | 4 |
| TotalSurfaceArea | 278.47 |
| Relative PSA | 0.15998 |
| PolarSurfaceArea | 47.89 |
| Druglikeness | 0.70705 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| StereoCon |
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