5-[(E)-2-phenylethenyl]-3-pyridin-4-yl-1,2,4-oxadiazole
Formula:C15H11N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-[(E)-2-phenylethenyl]-3-pyridin-4-yl-1,2,4-oxadiazole is a drug-like molecule.
| MolName | 5-[(E)-2-phenylethenyl]-3-pyridin-4-yl-1,2,4-oxadiazole |
| MolecularFormula | C15H11N3O |
| Smiles | C(c1nc(-c2ccncc2)no1)=C/c1ccccc1 |
| InChI | InChI=1S/C15H11N3O/c1-2-4-12(5-3-1)6-7-14-17-15(18-19-14)13-8-10-16-11-9-13/h1-11H |
| InChIK | PYRALABKBZRNQQ-UHFFFAOYSA-N |
| TotalMolweight | 249.272 |
| Molweight | 249.272 |
| MonoisotopicMass | 249.090212 |
| CLogP | 2.6848 |
| CLogS | -3.86 |
| H Acceptors | 4 |
| TotalSurfaceArea | 205.25 |
| Relative PSA | 0.22909 |
| PolarSurfaceArea | 51.81 |
| Druglikeness | 1.2799 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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1 - 5-[(E)-2-phenylethenyl]-3-pyridin-4-yl-1,2,4-oxadiazole | 2 - 5-[(E)-2-phenylethenyl]-3-pyridin-4-yl-1,2,4-oxadiazole
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