(4Z)-2-(4-phenylphenyl)-4-(pyridin-2-ylmethylidene)-1,3-oxazol-5-one
Formula:C21H14N2O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4Z)-2-(4-phenylphenyl)-4-(pyridin-2-ylmethylidene)-1,3-oxazol-5-one is a drug-like molecule.
| MolName | (4Z)-2-(4-phenylphenyl)-4-(pyridin-2-ylmethylidene)-1,3-oxazol-5-one |
| MolecularFormula | C21H14N2O2 |
| Smiles | O=C1OC(c(cc2)ccc2-c2ccccc2)=N/C1=C\c1ncccc1 |
| InChI | InChI=1S/C21H14N2O2/c24-21-19(14-18-8-4-5-13-22-18)23-20(25-21)17-11-9-16(10-12-17)15-6-2-1-3-7-15/h1-14H |
| InChIK | USUXQHFSUSUEKS-UHFFFAOYSA-N |
| TotalMolweight | 326.354 |
| Molweight | 326.354 |
| MonoisotopicMass | 326.105528 |
| CLogP | 3.3041 |
| CLogS | -5.234 |
| H Acceptors | 4 |
| TotalSurfaceArea | 253.47 |
| Relative PSA | 0.17959 |
| PolarSurfaceArea | 51.55 |
| Druglikeness | 0.83709 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (4Z)-2-(4-phenylphenyl)-4-(pyridin-2-ylmethylidene)-1,3-oxazol-5-one | 2 - (4Z)-2-(4-phenylphenyl)-4-(pyridin-2-ylmethylidene)-1,3-oxazol-5-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off