(E)-N-(1,2-benzoxazol-3-yl)-3-phenylprop-2-enamide
Formula:C16H12N2O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-(1,2-benzoxazol-3-yl)-3-phenylprop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(1,2-benzoxazol-3-yl)-3-phenylprop-2-enamide |
| MolecularFormula | C16H12N2O2 |
| Smiles | O=C(/C=C/c1ccccc1)Nc1noc2c1cccc2 |
| InChI | InChI=1S/C16H12N2O2/c19-15(11-10-12-6-2-1-3-7-12)17-16-13-8-4-5-9-14(13)20-18-16/h1-11H,(H,17,18,19) |
| InChIK | WNFQWVXIEZYWNZ-UHFFFAOYSA-N |
| TotalMolweight | 264.283 |
| Molweight | 264.283 |
| MonoisotopicMass | 264.089878 |
| CLogP | 3.2149 |
| CLogS | -4.621 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 211.78 |
| Relative PSA | 0.23411 |
| PolarSurfaceArea | 55.13 |
| Druglikeness | 1.5128 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-N-(1,2-benzoxazol-3-yl)-3-phenylprop-2-enamide | 2 - (E)-N-(1,2-benzoxazol-3-yl)-3-phenylprop-2-enamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off