| MolName | 4-(4-chlorophenyl)sulfonyl-N-(furan-2-ylmethyl)-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-amine |
| MolecularFormula | C22H17N2O4ClS |
| Smiles | O=S(c1c(NCc2ccco2)oc(/C=C/c2ccccc2)n1)(c(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C22H17ClN2O4S/c23-17-9-11-19(12-10-17)30(26,27)22-21(24-15-18-7-4-14-28-18)29-20(25-22)13-8-16-5-2-1-3-6-16/h1-14,24H,15H2 |
| InChIK | WXXASRMGOGVXSO-UHFFFAOYSA-N |
| TotalMolweight | 440.906 |
| Molweight | 440.906 |
| MonoisotopicMass | 440.059755 |
| CLogP | 4.3423 |
| CLogS | -6.11 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 326.4 |
| Relative PSA | 0.24274 |
| PolarSurfaceArea | 93.72 |
| Druglikeness | -0.58621 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 4-(4-chlorophenyl)sulfonyl-N-(furan-2-ylmethyl)-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-amine | 2 - 4-(4-chlorophenyl)sulfonyl-N-(furan-2-ylmethyl)-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-amine