2-[(E)-2-phenylethenyl]-5-(2-phenylethyl)-1,3,4-oxadiazole
Formula:C18H16N2O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-phenylethenyl]-5-(2-phenylethyl)-1,3,4-oxadiazole is a drug-like molecule.
| MolName | 2-[(E)-2-phenylethenyl]-5-(2-phenylethyl)-1,3,4-oxadiazole |
| MolecularFormula | C18H16N2O |
| Smiles | C(Cc1ccccc1)c1nnc(/C=C/c2ccccc2)o1 |
| InChI | InChI=1S/C18H16N2O/c1-3-7-15(8-4-1)11-13-17-19-20-18(21-17)14-12-16-9-5-2-6-10-16/h1-11,13H,12,14H2 |
| InChIK | AVKXIMRDRJGDJI-UHFFFAOYSA-N |
| TotalMolweight | 276.338 |
| Molweight | 276.338 |
| MonoisotopicMass | 276.126263 |
| CLogP | 4.0291 |
| CLogS | -3.542 |
| H Acceptors | 3 |
| TotalSurfaceArea | 234.01 |
| Relative PSA | 0.15405 |
| PolarSurfaceArea | 38.92 |
| Druglikeness | -0.72184 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 2-[(E)-2-phenylethenyl]-5-(2-phenylethyl)-1,3,4-oxadiazole | 2 - 2-[(E)-2-phenylethenyl]-5-(2-phenylethyl)-1,3,4-oxadiazole
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