N-[4-[5-[(E)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]phenyl]pyridine-4-carboxamide
Formula:C22H16N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[4-[5-[(E)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]phenyl]pyridine-4-carboxamide is a drug-like molecule.
| MolName | N-[4-[5-[(E)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]phenyl]pyridine-4-carboxamide |
| MolecularFormula | C22H16N4O2 |
| Smiles | O=C(c1ccncc1)Nc(cc1)ccc1-c1noc(/C=C/c2ccccc2)n1 |
| InChI | InChI=1S/C22H16N4O2/c27-22(18-12-14-23-15-13-18)24-19-9-7-17(8-10-19)21-25-20(28-26-21)11-6-16-4-2-1-3-5-16/h1-15H,(H,24,27) |
| InChIK | VNRVAHIQFLNCLD-UHFFFAOYSA-N |
| TotalMolweight | 368.395 |
| Molweight | 368.395 |
| MonoisotopicMass | 368.127326 |
| CLogP | 3.8323 |
| CLogS | -5.372 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 294.22 |
| Relative PSA | 0.24308 |
| PolarSurfaceArea | 80.91 |
| Druglikeness | 2.4217 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.67857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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1 - N-[4-[5-[(E)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]phenyl]pyridine-4-carboxamide | 2 - N-[4-[5-[(E)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]phenyl]pyridine-4-carboxamide
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