(4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-2-phenyl-1,3-oxazole
Formula:C17H13NO3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-2-phenyl-1,3-oxazole is a drug-like molecule.
| MolName | (4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-2-phenyl-1,3-oxazole |
| MolecularFormula | C17H13NO3 |
| Smiles | C1OC(c2ccccc2)=N/C1=C\c(cc1)cc2c1OCO2 |
| InChI | InChI=1S/C17H13NO3/c1-2-4-13(5-3-1)17-18-14(10-19-17)8-12-6-7-15-16(9-12)21-11-20-15/h1-9H,10-11H2 |
| InChIK | WYWCVBCQDUNPGJ-UHFFFAOYSA-N |
| TotalMolweight | 279.294 |
| Molweight | 279.294 |
| MonoisotopicMass | 279.089544 |
| CLogP | 3.2694 |
| CLogS | -4.648 |
| H Acceptors | 4 |
| TotalSurfaceArea | 211.22 |
| Relative PSA | 0.19652 |
| PolarSurfaceArea | 40.05 |
| Druglikeness | -2.5131 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - (4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-2-phenyl-1,3-oxazole | 2 - (4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-2-phenyl-1,3-oxazole
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off