5-[(E)-2-(2,4-difluoroanilino)ethenyl]-3-phenyl-1,2-oxazole-4-carbonitrile
Formula:C18H11N3OF2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-[(E)-2-(2,4-difluoroanilino)ethenyl]-3-phenyl-1,2-oxazole-4-carbonitrile is a drug-like molecule.
| MolName | 5-[(E)-2-(2,4-difluoroanilino)ethenyl]-3-phenyl-1,2-oxazole-4-carbonitrile |
| MolecularFormula | C18H11N3OF2 |
| Smiles | N#Cc1c(/C=C/Nc(ccc(F)c2)c2F)onc1-c1ccccc1 |
| InChI | InChI=1S/C18H11F2N3O/c19-13-6-7-16(15(20)10-13)22-9-8-17-14(11-21)18(23-24-17)12-4-2-1-3-5-12/h1-10,22H |
| InChIK | JJHFKNCQWYQPNX-UHFFFAOYSA-N |
| TotalMolweight | 323.301 |
| Molweight | 323.301 |
| MonoisotopicMass | 323.087018 |
| CLogP | 3.289 |
| CLogS | -5.998 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 253.6 |
| Relative PSA | 0.19756 |
| PolarSurfaceArea | 61.85 |
| Druglikeness | -4.1678 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 5-[(E)-2-(2,4-difluoroanilino)ethenyl]-3-phenyl-1,2-oxazole-4-carbonitrile | 2 - 5-[(E)-2-(2,4-difluoroanilino)ethenyl]-3-phenyl-1,2-oxazole-4-carbonitrile
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