N-[(Z)-[4-(trifluoromethoxy)phenyl]methylideneamino]-1,3-oxazole-5-carboxamide
Formula:C12H8N3O3F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-(trifluoromethoxy)phenyl]methylideneamino]-1,3-oxazole-5-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[4-(trifluoromethoxy)phenyl]methylideneamino]-1,3-oxazole-5-carboxamide |
| MolecularFormula | C12H8N3O3F3 |
| Smiles | O=C(c1cnco1)N/N=C\c(cc1)ccc1OC(F)(F)F |
| InChI | InChI=1S/C12H8F3N3O3/c13-12(14,15)21-9-3-1-8(2-4-9)5-17-18-11(19)10-6-16-7-20-10/h1-7H,(H,18,19) |
| InChIK | RWSGKWHJSZPLQV-UHFFFAOYSA-N |
| TotalMolweight | 299.208 |
| Molweight | 299.208 |
| MonoisotopicMass | 299.051776 |
| CLogP | 2.927 |
| CLogS | -4.217 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 214.9 |
| Relative PSA | 0.33081 |
| PolarSurfaceArea | 76.72 |
| Druglikeness | -3.4819 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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