5-(difluoromethyl)-3-[(E)-2-thiophen-2-ylethenyl]-1,2-oxazole
Formula:C10H7NOF2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-(difluoromethyl)-3-[(E)-2-thiophen-2-ylethenyl]-1,2-oxazole is a drug-like molecule.
| MolName | 5-(difluoromethyl)-3-[(E)-2-thiophen-2-ylethenyl]-1,2-oxazole |
| MolecularFormula | C10H7NOF2S |
| Smiles | FC(c1cc(/C=C/c2cccs2)no1)F |
| InChI | InChI=1S/C10H7F2NOS/c11-10(12)9-6-7(13-14-9)3-4-8-2-1-5-15-8/h1-6,10H |
| InChIK | BZHUTGQHKYYMAK-UHFFFAOYSA-N |
| TotalMolweight | 227.234 |
| Molweight | 227.234 |
| MonoisotopicMass | 227.02164 |
| CLogP | 2.9492 |
| CLogS | -3.636 |
| H Acceptors | 2 |
| TotalSurfaceArea | 169.11 |
| Relative PSA | 0.2687 |
| PolarSurfaceArea | 54.27 |
| Druglikeness | -0.16343 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 1 |
| Symmetricatoms | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 5-(difluoromethyl)-3-[(E)-2-thiophen-2-ylethenyl]-1,2-oxazole | 2 - 5-(difluoromethyl)-3-[(E)-2-thiophen-2-ylethenyl]-1,2-oxazole
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off