5-[(2-chlorophenyl)methylamino]-2-[(E)-2-phenylethenyl]-1,3-oxazole-4-carbonitrile
Formula:C19H14N3OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-[(2-chlorophenyl)methylamino]-2-[(E)-2-phenylethenyl]-1,3-oxazole-4-carbonitrile is a drug-like molecule.
| MolName | 5-[(2-chlorophenyl)methylamino]-2-[(E)-2-phenylethenyl]-1,3-oxazole-4-carbonitrile |
| MolecularFormula | C19H14N3OCl |
| Smiles | N#Cc1c(NCc(cccc2)c2Cl)oc(/C=C/c2ccccc2)n1 |
| InChI | InChI=1S/C19H14ClN3O/c20-16-9-5-4-8-15(16)13-22-19-17(12-21)23-18(24-19)11-10-14-6-2-1-3-7-14/h1-11,22H,13H2 |
| InChIK | DFXTVGDDIJIZGV-UHFFFAOYSA-N |
| TotalMolweight | 335.793 |
| Molweight | 335.793 |
| MonoisotopicMass | 335.082539 |
| CLogP | 4.2406 |
| CLogS | -5.926 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 270.08 |
| Relative PSA | 0.1855 |
| PolarSurfaceArea | 61.85 |
| Druglikeness | -4.6738 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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