(E)-3-(2,4-dichlorophenyl)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)prop-2-enamide
Formula:C21H13N3O2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(2,4-dichlorophenyl)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)prop-2-enamide is not a drug-like molecule.
| MolName | (E)-3-(2,4-dichlorophenyl)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)prop-2-enamide |
| MolecularFormula | C21H13N3O2Cl2 |
| Smiles | O=C(/C=C/c(ccc(Cl)c1)c1Cl)Nc(cc1)cc2c1oc(-c1ccncc1)n2 |
| InChI | InChI=1S/C21H13Cl2N3O2/c22-15-3-1-13(17(23)11-15)2-6-20(27)25-16-4-5-19-18(12-16)26-21(28-19)14-7-9-24-10-8-14/h1-12H,(H,25,27) |
| InChIK | ICCAZXZMLOZORJ-UHFFFAOYSA-N |
| TotalMolweight | 410.259 |
| Molweight | 410.259 |
| MonoisotopicMass | 409.038481 |
| CLogP | 5.0022 |
| CLogS | -7.165 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 301.14 |
| Relative PSA | 0.20107 |
| PolarSurfaceArea | 68.02 |
| Druglikeness | -0.053179 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - (E)-3-(2,4-dichlorophenyl)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)prop-2-enamide | 2 - (E)-3-(2,4-dichlorophenyl)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)prop-2-enamide
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