(E)-3-(2-chlorophenyl)-N-(5-phenyl-1,3,4-oxadiazol-2-yl)prop-2-enamide
Formula:C17H12N3O2Cl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(E)-3-(2-chlorophenyl)-N-(5-phenyl-1,3,4-oxadiazol-2-yl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(2-chlorophenyl)-N-(5-phenyl-1,3,4-oxadiazol-2-yl)prop-2-enamide |
| MolecularFormula | C17H12N3O2Cl |
| Smiles | O=C(/C=C/c(cccc1)c1Cl)Nc1nnc(-c2ccccc2)o1 |
| InChI | InChI=1S/C17H12ClN3O2/c18-14-9-5-4-6-12(14)10-11-15(22)19-17-21-20-16(23-17)13-7-2-1-3-8-13/h1-11H,(H,19,21,22) |
| InChIK | CEUNFMDEMCBQEI-UHFFFAOYSA-N |
| TotalMolweight | 325.754 |
| Molweight | 325.754 |
| MonoisotopicMass | 325.061804 |
| CLogP | 3.9369 |
| CLogS | -6.234 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 251.12 |
| Relative PSA | 0.24112 |
| PolarSurfaceArea | 68.02 |
| Druglikeness | 0.91661 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - (E)-3-(2-chlorophenyl)-N-(5-phenyl-1,3,4-oxadiazol-2-yl)prop-2-enamide | 2 - (E)-3-(2-chlorophenyl)-N-(5-phenyl-1,3,4-oxadiazol-2-yl)prop-2-enamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off