(4Z)-4-[(4-chlorophenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one
Formula:C14H8NO3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4Z)-4-[(4-chlorophenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one is a drug-like molecule.
| MolName | (4Z)-4-[(4-chlorophenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one |
| MolecularFormula | C14H8NO3Cl |
| Smiles | O=C1OC(c2ccco2)=N/C1=C\c(cc1)ccc1Cl |
| InChI | InChI=1S/C14H8ClNO3/c15-10-5-3-9(4-6-10)8-11-14(17)19-13(16-11)12-2-1-7-18-12/h1-8H |
| InChIK | HTDZXYYOPYAXBT-UHFFFAOYSA-N |
| TotalMolweight | 273.675 |
| Molweight | 273.675 |
| MonoisotopicMass | 273.019271 |
| CLogP | 2.3865 |
| CLogS | -4.337 |
| H Acceptors | 4 |
| TotalSurfaceArea | 200.06 |
| Relative PSA | 0.24323 |
| PolarSurfaceArea | 51.8 |
| Druglikeness | 0.71092 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - (4Z)-4-[(4-chlorophenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one | 2 - (4Z)-4-[(4-chlorophenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off