N-[(Z)-(2-chlorophenyl)methylideneamino]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole-5-carboxamide
Formula:C17H10N4O3ClF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-chlorophenyl)methylideneamino]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole-5-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(2-chlorophenyl)methylideneamino]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole-5-carboxamide |
| MolecularFormula | C17H10N4O3ClF3 |
| Smiles | O=C(c1nc(-c(cc2)ccc2OC(F)(F)F)no1)N/N=C\c(cccc1)c1Cl |
| InChI | InChI=1S/C17H10ClF3N4O3/c18-13-4-2-1-3-11(13)9-22-24-15(26)16-23-14(25-28-16)10-5-7-12(8-6-10)27-17(19,20)21/h1-9H,(H,24,26) |
| InChIK | ZCTDQAZHXYGRAK-UHFFFAOYSA-N |
| TotalMolweight | 410.738 |
| Molweight | 410.738 |
| MonoisotopicMass | 410.039352 |
| CLogP | 4.7257 |
| CLogS | -6.383 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 288.84 |
| Relative PSA | 0.2841 |
| PolarSurfaceArea | 89.61 |
| Druglikeness | -1.9789 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - N-[(Z)-(2-chlorophenyl)methylideneamino]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole-5-carboxamide | 2 - N-[(Z)-(2-chlorophenyl)methylideneamino]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole-5-carboxamide
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