| MolName | (E)-3-phenyl-N-[4-[[(E)-3-phenylprop-2-enoyl]amino]-1,2,5-oxadiazol-3-yl]prop-2-enamide |
| MolecularFormula | C20H16N4O3 |
| Smiles | O=C(/C=C/c1ccccc1)Nc1nonc1NC(/C=C/c1ccccc1)=O |
| InChI | InChI=1S/C20H16N4O3/c25-17(13-11-15-7-3-1-4-8-15)21-19-20(24-27-23-19)22-18(26)14-12-16-9-5-2-6-10-16/h1-14H,(H,21,23,25)(H,22,24,26) |
| InChIK | YBZZPQVUXNCZRV-UHFFFAOYSA-N |
| TotalMolweight | 360.372 |
| Molweight | 360.372 |
| MonoisotopicMass | 360.122241 |
| CLogP | 3.8271 |
| CLogS | -4.673 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 291.41 |
| Relative PSA | 0.29186 |
| PolarSurfaceArea | 97.12 |
| Druglikeness | 1.1745 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 15 |
| Amides | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - (E)-3-phenyl-N-[4-[[(E)-3-phenylprop-2-enoyl]amino]-1,2,5-oxadiazol-3-yl]prop-2-enamide | 2 - (E)-3-phenyl-N-[4-[[(E)-3-phenylprop-2-enoyl]amino]-1,2,5-oxadiazol-3-yl]prop-2-enamide