(4Z)-2-(2-bromophenyl)-4-(piperidin-1-ylmethylidene)-1,3-oxazol-5-one
Formula:C15H15N2O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4Z)-2-(2-bromophenyl)-4-(piperidin-1-ylmethylidene)-1,3-oxazol-5-one is a drug-like molecule.
| MolName | (4Z)-2-(2-bromophenyl)-4-(piperidin-1-ylmethylidene)-1,3-oxazol-5-one |
| MolecularFormula | C15H15N2O2Br |
| Smiles | O=C1OC(c(cccc2)c2Br)=N/C1=C\N1CCCCC1 |
| InChI | InChI=1S/C15H15BrN2O2/c16-12-7-3-2-6-11(12)14-17-13(15(19)20-14)10-18-8-4-1-5-9-18/h2-3,6-7,10H,1,4-5,8-9H2 |
| InChIK | HHWNBOGPEVZGMA-UHFFFAOYSA-N |
| TotalMolweight | 335.2 |
| Molweight | 335.2 |
| MonoisotopicMass | 334.031689 |
| CLogP | 2.1785 |
| CLogS | -3.786 |
| H Acceptors | 4 |
| TotalSurfaceArea | 219.42 |
| Relative PSA | 0.17364 |
| PolarSurfaceArea | 41.9 |
| Druglikeness | -0.63263 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| StereoCon |
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