5-phenyl-2-[3-[(E)-2-phenylethenyl]phenyl]-1,3-oxazole
Formula:C23H17NO
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-phenyl-2-[3-[(E)-2-phenylethenyl]phenyl]-1,3-oxazole is not a drug-like molecule.
| MolName | 5-phenyl-2-[3-[(E)-2-phenylethenyl]phenyl]-1,3-oxazole |
| MolecularFormula | C23H17NO |
| Smiles | C(c1ccccc1)=C/c1cccc(-c2ncc(-c3ccccc3)o2)c1 |
| InChI | InChI=1S/C23H17NO/c1-3-8-18(9-4-1)14-15-19-10-7-13-21(16-19)23-24-17-22(25-23)20-11-5-2-6-12-20/h1-17H |
| InChIK | MRLMYENDXDVWPH-UHFFFAOYSA-N |
| TotalMolweight | 323.394 |
| Molweight | 323.394 |
| MonoisotopicMass | 323.131014 |
| CLogP | 5.8322 |
| CLogS | -7.124 |
| H Acceptors | 2 |
| TotalSurfaceArea | 267.49 |
| Relative PSA | 0.093761 |
| PolarSurfaceArea | 26.03 |
| Druglikeness | -0.515 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 5-phenyl-2-[3-[(E)-2-phenylethenyl]phenyl]-1,3-oxazole | 2 - 5-phenyl-2-[3-[(E)-2-phenylethenyl]phenyl]-1,3-oxazole
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