3-[(E)-3-naphthalen-2-ylprop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
Formula:C22H17NO3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(E)-3-naphthalen-2-ylprop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one is a drug-like molecule.
| MolName | 3-[(E)-3-naphthalen-2-ylprop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one |
| MolecularFormula | C22H17NO3 |
| Smiles | O=C(/C=C/c1cc2ccccc2cc1)N(C(CO1)c2ccccc2)C1=O |
| InChI | InChI=1S/C22H17NO3/c24-21(13-11-16-10-12-17-6-4-5-9-19(17)14-16)23-20(15-26-22(23)25)18-7-2-1-3-8-18/h1-14,20H,15H2/t20-/m1/s1 |
| InChIK | UZZHONOIBXMLKU-HXUWFJFHSA-N |
| TotalMolweight | 343.381 |
| Molweight | 343.381 |
| MonoisotopicMass | 343.120844 |
| CLogP | 4.3872 |
| CLogS | -5.072 |
| H Acceptors | 4 |
| TotalSurfaceArea | 262.68 |
| Relative PSA | 0.15087 |
| PolarSurfaceArea | 46.61 |
| Druglikeness | -4.5336 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon | racemate |
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1 - 3-[(E)-3-naphthalen-2-ylprop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one | 2 - 3-[(E)-3-naphthalen-2-ylprop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
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