(4Z)-2-(4-nitrophenyl)-4-[(3-phenoxyphenyl)methylidene]-1,3-oxazol-5-one
Formula:C22H14N2O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4Z)-2-(4-nitrophenyl)-4-[(3-phenoxyphenyl)methylidene]-1,3-oxazol-5-one is a drug-like molecule.
| MolName | (4Z)-2-(4-nitrophenyl)-4-[(3-phenoxyphenyl)methylidene]-1,3-oxazol-5-one |
| MolecularFormula | C22H14N2O5 |
| Smiles | [O-][N+](c(cc1)ccc1C(OC1=O)=N/C1=C\c1cc(Oc2ccccc2)ccc1)=O |
| InChI | InChI=1S/C22H14N2O5/c25-22-20(23-21(29-22)16-9-11-17(12-10-16)24(26)27)14-15-5-4-8-19(13-15)28-18-6-2-1-3-7-18/h1-14H |
| InChIK | JURJRVGJJAFORU-UHFFFAOYSA-N |
| TotalMolweight | 386.362 |
| Molweight | 386.362 |
| MonoisotopicMass | 386.090273 |
| CLogP | 3.0658 |
| CLogS | -6.676 |
| H Acceptors | 7 |
| TotalSurfaceArea | 288.38 |
| Relative PSA | 0.25997 |
| PolarSurfaceArea | 93.71 |
| Druglikeness | -4.1696 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.62069 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (4Z)-2-(4-nitrophenyl)-4-[(3-phenoxyphenyl)methylidene]-1,3-oxazol-5-one | 2 - (4Z)-2-(4-nitrophenyl)-4-[(3-phenoxyphenyl)methylidene]-1,3-oxazol-5-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off