(E)-N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-thiophen-2-ylprop-2-enamide
Formula:C15H10N3O2ClS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(E)-N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-thiophen-2-ylprop-2-enamide is a drug-like molecule.
| MolName | (E)-N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-thiophen-2-ylprop-2-enamide |
| MolecularFormula | C15H10N3O2ClS |
| Smiles | O=C(/C=C/c1cccs1)Nc1nnc(-c(cc2)ccc2Cl)o1 |
| InChI | InChI=1S/C15H10ClN3O2S/c16-11-5-3-10(4-6-11)14-18-19-15(21-14)17-13(20)8-7-12-2-1-9-22-12/h1-9H,(H,17,19,20) |
| InChIK | UPDVNCQCFXWKTP-UHFFFAOYSA-N |
| TotalMolweight | 331.782 |
| Molweight | 331.782 |
| MonoisotopicMass | 331.018224 |
| CLogP | 3.8035 |
| CLogS | -6.244 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 247.06 |
| Relative PSA | 0.32749 |
| PolarSurfaceArea | 96.26 |
| Druglikeness | 2.7702 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - (E)-N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-thiophen-2-ylprop-2-enamide | 2 - (E)-N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-thiophen-2-ylprop-2-enamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off