(4E)-2-[(E)-2-phenylethenyl]-4-(pyridin-3-ylmethylidene)-1,3-oxazol-5-one
Formula:C17H12N2O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4E)-2-[(E)-2-phenylethenyl]-4-(pyridin-3-ylmethylidene)-1,3-oxazol-5-one is a drug-like molecule.
| MolName | (4E)-2-[(E)-2-phenylethenyl]-4-(pyridin-3-ylmethylidene)-1,3-oxazol-5-one |
| MolecularFormula | C17H12N2O2 |
| Smiles | O=C1OC(/C=C/c2ccccc2)=N/C1=C/c1cnccc1 |
| InChI | InChI=1S/C17H12N2O2/c20-17-15(11-14-7-4-10-18-12-14)19-16(21-17)9-8-13-5-2-1-3-6-13/h1-12H |
| InChIK | GFGMISOSPOPSHN-UHFFFAOYSA-N |
| TotalMolweight | 276.294 |
| Molweight | 276.294 |
| MonoisotopicMass | 276.089878 |
| CLogP | 1.9454 |
| CLogS | -3.494 |
| H Acceptors | 4 |
| TotalSurfaceArea | 220.21 |
| Relative PSA | 0.20671 |
| PolarSurfaceArea | 51.55 |
| Druglikeness | 0.90223 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (4E)-2-[(E)-2-phenylethenyl]-4-(pyridin-3-ylmethylidene)-1,3-oxazol-5-one | 2 - (4E)-2-[(E)-2-phenylethenyl]-4-(pyridin-3-ylmethylidene)-1,3-oxazol-5-one
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