N-[(Z)-benzylideneamino]-2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)acetamide
Formula:C15H12N6O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-benzylideneamino]-2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)acetamide is a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)acetamide |
| MolecularFormula | C15H12N6O2 |
| Smiles | O=C(Cc1nc(-c2nccnc2)no1)N/N=C\c1ccccc1 |
| InChI | InChI=1S/C15H12N6O2/c22-13(20-18-9-11-4-2-1-3-5-11)8-14-19-15(21-23-14)12-10-16-6-7-17-12/h1-7,9-10H,8H2,(H,20,22) |
| InChIK | GYEVBZCLHUPDPX-UHFFFAOYSA-N |
| TotalMolweight | 308.3 |
| Molweight | 308.3 |
| MonoisotopicMass | 308.102174 |
| CLogP | 1.108 |
| CLogS | -2.691 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 245.24 |
| Relative PSA | 0.3833 |
| PolarSurfaceArea | 106.16 |
| Druglikeness | 5.3839 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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1 - N-[(Z)-benzylideneamino]-2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)acetamide | 2 - N-[(Z)-benzylideneamino]-2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)acetamide
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