5-phenyl-2-[(E)-2-phenylethenyl]-1,3-oxazole
Formula:C17H13NO
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-phenyl-2-[(E)-2-phenylethenyl]-1,3-oxazole is a drug-like molecule.
| MolName | 5-phenyl-2-[(E)-2-phenylethenyl]-1,3-oxazole |
| MolecularFormula | C17H13NO |
| Smiles | C(c1ncc(-c2ccccc2)o1)=C/c1ccccc1 |
| InChI | InChI=1S/C17H13NO/c1-3-7-14(8-4-1)11-12-17-18-13-16(19-17)15-9-5-2-6-10-15/h1-13H |
| InChIK | GVUCQXXIFUSPLQ-UHFFFAOYSA-N |
| TotalMolweight | 247.296 |
| Molweight | 247.296 |
| MonoisotopicMass | 247.099714 |
| CLogP | 4.0787 |
| CLogS | -4.263 |
| H Acceptors | 2 |
| TotalSurfaceArea | 207.73 |
| Relative PSA | 0.12073 |
| PolarSurfaceArea | 26.03 |
| Druglikeness | -0.515 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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