3-(4-fluorophenyl)-5-[1-[(E)-2-phenylethenyl]sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole
Formula:C20H18N3O3FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-(4-fluorophenyl)-5-[1-[(E)-2-phenylethenyl]sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole is a drug-like molecule.
| MolName | 3-(4-fluorophenyl)-5-[1-[(E)-2-phenylethenyl]sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole |
| MolecularFormula | C20H18N3O3FS |
| Smiles | O=S(/C=C/c1ccccc1)(N(CCC1)C1c1nc(-c(cc2)ccc2F)no1)=O |
| InChI | InChI=1S/C20H18FN3O3S/c21-17-10-8-16(9-11-17)19-22-20(27-23-19)18-7-4-13-24(18)28(25,26)14-12-15-5-2-1-3-6-15/h1-3,5-6,8-12,14,18H,4,7,13H2/t18-/m0/s1 |
| InChIK | CTIFVXYTSNYJRG-SFHVURJKSA-N |
| TotalMolweight | 399.445 |
| Molweight | 399.445 |
| MonoisotopicMass | 399.10529 |
| CLogP | 3.4864 |
| CLogS | -5.182 |
| H Acceptors | 6 |
| TotalSurfaceArea | 292 |
| Relative PSA | 0.23349 |
| PolarSurfaceArea | 84.68 |
| Druglikeness | 1.7716 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 5 |
| Symmetricatoms | 5 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon | racemate |
Click to Load Molecule:
1 - 3-(4-fluorophenyl)-5-[1-[(E)-2-phenylethenyl]sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole | 2 - 3-(4-fluorophenyl)-5-[1-[(E)-2-phenylethenyl]sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole
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