2-[4-[(E)-2-(2-nitrophenyl)ethenyl]phenyl]-5-phenyl-1,3-oxazole
Formula:C23H16N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[4-[(E)-2-(2-nitrophenyl)ethenyl]phenyl]-5-phenyl-1,3-oxazole is a drug-like molecule.
| MolName | 2-[4-[(E)-2-(2-nitrophenyl)ethenyl]phenyl]-5-phenyl-1,3-oxazole |
| MolecularFormula | C23H16N2O3 |
| Smiles | [O-][N+](c1c(/C=C/c(cc2)ccc2-c2ncc(-c3ccccc3)o2)cccc1)=O |
| InChI | InChI=1S/C23H16N2O3/c26-25(27)21-9-5-4-6-18(21)13-10-17-11-14-20(15-12-17)23-24-16-22(28-23)19-7-2-1-3-8-19/h1-16H |
| InChIK | SLYJTQPAHOQNPQ-UHFFFAOYSA-N |
| TotalMolweight | 368.391 |
| Molweight | 368.391 |
| MonoisotopicMass | 368.116093 |
| CLogP | 4.9106 |
| CLogS | -7.584 |
| H Acceptors | 5 |
| TotalSurfaceArea | 291.16 |
| Relative PSA | 0.19062 |
| PolarSurfaceArea | 71.85 |
| Druglikeness | -5.5775 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[4-[(E)-2-(2-nitrophenyl)ethenyl]phenyl]-5-phenyl-1,3-oxazole | 2 - 2-[4-[(E)-2-(2-nitrophenyl)ethenyl]phenyl]-5-phenyl-1,3-oxazole
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