(4E)-2-phenyl-4-[(5-thiophen-2-ylthiophen-2-yl)methylidene]-1,3-oxazol-5-one
Formula:C18H11NO2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4E)-2-phenyl-4-[(5-thiophen-2-ylthiophen-2-yl)methylidene]-1,3-oxazol-5-one is a drug-like molecule.
| MolName | (4E)-2-phenyl-4-[(5-thiophen-2-ylthiophen-2-yl)methylidene]-1,3-oxazol-5-one |
| MolecularFormula | C18H11NO2S2 |
| Smiles | O=C1OC(c2ccccc2)=N/C1=C/c1ccc(-c2cccs2)s1 |
| InChI | InChI=1S/C18H11NO2S2/c20-18-14(19-17(21-18)12-5-2-1-3-6-12)11-13-8-9-16(23-13)15-7-4-10-22-15/h1-11H |
| InChIK | HCRSHCOIAVZYFL-UHFFFAOYSA-N |
| TotalMolweight | 337.422 |
| Molweight | 337.422 |
| MonoisotopicMass | 337.023119 |
| CLogP | 4.3802 |
| CLogS | -5.957 |
| H Acceptors | 3 |
| TotalSurfaceArea | 246.59 |
| Relative PSA | 0.30524 |
| PolarSurfaceArea | 95.14 |
| Druglikeness | 2.9042 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - (4E)-2-phenyl-4-[(5-thiophen-2-ylthiophen-2-yl)methylidene]-1,3-oxazol-5-one | 2 - (4E)-2-phenyl-4-[(5-thiophen-2-ylthiophen-2-yl)methylidene]-1,3-oxazol-5-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off