(E)-3-(4-nitrophenyl)-N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)prop-2-enamide
Formula:C16H11N5O4
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(E)-3-(4-nitrophenyl)-N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(4-nitrophenyl)-N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)prop-2-enamide |
| MolecularFormula | C16H11N5O4 |
| Smiles | [O-][N+](c1ccc(/C=C/C(Nc2nnc(-c3ccncc3)o2)=O)cc1)=O |
| InChI | InChI=1S/C16H11N5O4/c22-14(6-3-11-1-4-13(5-2-11)21(23)24)18-16-20-19-15(25-16)12-7-9-17-10-8-12/h1-10H,(H,18,20,22) |
| InChIK | QCIWBYMNEFUYPN-UHFFFAOYSA-N |
| TotalMolweight | 337.294 |
| Molweight | 337.294 |
| MonoisotopicMass | 337.081105 |
| CLogP | 1.4084 |
| CLogS | -5.163 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 258.13 |
| Relative PSA | 0.39492 |
| PolarSurfaceArea | 126.73 |
| Druglikeness | -4.1945 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 3 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-3-(4-nitrophenyl)-N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)prop-2-enamide | 2 - (E)-3-(4-nitrophenyl)-N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)prop-2-enamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off