2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N'-hydroxyethanimidamide
Formula:C17H15N3O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N'-hydroxyethanimidamide is a drug-like molecule.
| MolName | 2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N'-hydroxyethanimidamide |
| MolecularFormula | C17H15N3O2S |
| Smiles | N/C(/CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)=N/O |
| InChI | InChI=1S/C17H15N3O2S/c18-14(20-21)11-23-17-19-15(12-7-3-1-4-8-12)16(22-17)13-9-5-2-6-10-13/h1-10,21H,11H2,(H2,18,20) |
| InChIK | INGGESJYYPDNKI-UHFFFAOYSA-N |
| TotalMolweight | 325.391 |
| Molweight | 325.391 |
| MonoisotopicMass | 325.088497 |
| CLogP | 3.896 |
| CLogS | -5.396 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 250.32 |
| Relative PSA | 0.32938 |
| PolarSurfaceArea | 109.94 |
| Druglikeness | 0.5085 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52174 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N'-hydroxyethanimidamide | 2 - 2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N'-hydroxyethanimidamide
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