(4Z)-4-[(4-phenylmethoxyphenyl)methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one
Formula:C21H15NO3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4Z)-4-[(4-phenylmethoxyphenyl)methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one is a drug-like molecule.
| MolName | (4Z)-4-[(4-phenylmethoxyphenyl)methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one |
| MolecularFormula | C21H15NO3S |
| Smiles | O=C1OC(c2cccs2)=N/C1=C\c(cc1)ccc1OCc1ccccc1 |
| InChI | InChI=1S/C21H15NO3S/c23-21-18(22-20(25-21)19-7-4-12-26-19)13-15-8-10-17(11-9-15)24-14-16-5-2-1-3-6-16/h1-13H,14H2 |
| InChIK | QHSBFJJVQVBHKO-UHFFFAOYSA-N |
| TotalMolweight | 361.42 |
| Molweight | 361.42 |
| MonoisotopicMass | 361.077264 |
| CLogP | 3.8065 |
| CLogS | -5.27 |
| H Acceptors | 4 |
| TotalSurfaceArea | 274.41 |
| Relative PSA | 0.23654 |
| PolarSurfaceArea | 76.13 |
| Druglikeness | 2.505 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - (4Z)-4-[(4-phenylmethoxyphenyl)methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one | 2 - (4Z)-4-[(4-phenylmethoxyphenyl)methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one
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