5-(difluoromethyl)-3-[(E)-2-thiophen-2-ylethenyl]-4H-1,2-oxazol-5-ol
Formula:C10H9NO2F2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-(difluoromethyl)-3-[(E)-2-thiophen-2-ylethenyl]-4H-1,2-oxazol-5-ol is a drug-like molecule.
| MolName | 5-(difluoromethyl)-3-[(E)-2-thiophen-2-ylethenyl]-4H-1,2-oxazol-5-ol |
| MolecularFormula | C10H9NO2F2S |
| Smiles | OC(C1)(C(F)F)ON=C1/C=C/c1cccs1 |
| InChI | InChI=1S/C10H9F2NO2S/c11-9(12)10(14)6-7(13-15-10)3-4-8-2-1-5-16-8/h1-5,9,14H,6H2/t10-/m0/s1 |
| InChIK | RFYVQJGHGHWEEJ-JTQLQIEISA-N |
| TotalMolweight | 245.248 |
| Molweight | 245.248 |
| MonoisotopicMass | 245.032205 |
| CLogP | 2.7079 |
| CLogS | -3.483 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 170.89 |
| Relative PSA | 0.32167 |
| PolarSurfaceArea | 70.06 |
| Druglikeness | 0.72498 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 5 |
| Symmetricatoms | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - 5-(difluoromethyl)-3-[(E)-2-thiophen-2-ylethenyl]-4H-1,2-oxazol-5-ol | 2 - 5-(difluoromethyl)-3-[(E)-2-thiophen-2-ylethenyl]-4H-1,2-oxazol-5-ol
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off