(4E)-4-(furan-2-ylmethylidene)-2-thiophen-2-yl-1,3-oxazol-5-one
Formula:C12H7NO3S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(4E)-4-(furan-2-ylmethylidene)-2-thiophen-2-yl-1,3-oxazol-5-one is a drug-like molecule.
| MolName | (4E)-4-(furan-2-ylmethylidene)-2-thiophen-2-yl-1,3-oxazol-5-one |
| MolecularFormula | C12H7NO3S |
| Smiles | O=C1OC(c2cccs2)=N/C1=C/c1ccco1 |
| InChI | InChI=1S/C12H7NO3S/c14-12-9(7-8-3-1-5-15-8)13-11(16-12)10-4-2-6-17-10/h1-7H |
| InChIK | TUHHROSPXZWLSF-UHFFFAOYSA-N |
| TotalMolweight | 245.258 |
| Molweight | 245.258 |
| MonoisotopicMass | 245.014664 |
| CLogP | 1.6471 |
| CLogS | -3.611 |
| H Acceptors | 4 |
| TotalSurfaceArea | 180.58 |
| Relative PSA | 0.38221 |
| PolarSurfaceArea | 80.04 |
| Druglikeness | 2.297 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 1 |
| StereoCon |
Click to Load Molecule:
1 - (4E)-4-(furan-2-ylmethylidene)-2-thiophen-2-yl-1,3-oxazol-5-one | 2 - (4E)-4-(furan-2-ylmethylidene)-2-thiophen-2-yl-1,3-oxazol-5-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off