N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)acetamide
Formula:C15H11N6O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)acetamide is a drug-like molecule.
| MolName | N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)acetamide |
| MolecularFormula | C15H11N6O2Cl |
| Smiles | O=C(Cc1nc(-c2nccnc2)no1)N/N=C\c(cc1)ccc1Cl |
| InChI | InChI=1S/C15H11ClN6O2/c16-11-3-1-10(2-4-11)8-19-21-13(23)7-14-20-15(22-24-14)12-9-17-5-6-18-12/h1-6,8-9H,7H2,(H,21,23) |
| InChIK | DDLCRURZJXGPJU-UHFFFAOYSA-N |
| TotalMolweight | 342.745 |
| Molweight | 342.745 |
| MonoisotopicMass | 342.063201 |
| CLogP | 1.714 |
| CLogS | -3.427 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 260.66 |
| Relative PSA | 0.36062 |
| PolarSurfaceArea | 106.16 |
| Druglikeness | 5.4193 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.70833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| 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)-(4-chlorophenyl)methylideneamino]-2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)acetamide | 2 - N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)acetamide
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