(4R)-4-benzyl-3-[(E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one
Formula:C19H17NO3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4R)-4-benzyl-3-[(E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one is a drug-like molecule.
| MolName | (4R)-4-benzyl-3-[(E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one |
| MolecularFormula | C19H17NO3 |
| Smiles | O=C(/C=C/c1ccccc1)N([C@H](Cc1ccccc1)CO1)C1=O |
| InChI | InChI=1S/C19H17NO3/c21-18(12-11-15-7-3-1-4-8-15)20-17(14-23-19(20)22)13-16-9-5-2-6-10-16/h1-12,17H,13-14H2/t17-/m0/s1 |
| InChIK | JWRBSVRDVDBQOA-KRWDZBQOSA-N |
| TotalMolweight | 307.348 |
| Molweight | 307.348 |
| MonoisotopicMass | 307.120844 |
| CLogP | 3.4432 |
| CLogS | -3.885 |
| H Acceptors | 4 |
| TotalSurfaceArea | 241.84 |
| Relative PSA | 0.16387 |
| PolarSurfaceArea | 46.61 |
| Druglikeness | -3.9899 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - (4R)-4-benzyl-3-[(E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one | 2 - (4R)-4-benzyl-3-[(E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off