1-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-3-phenylpropan-1-one
Formula:C20H21N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-3-phenylpropan-1-one is a drug-like molecule.
| MolName | 1-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-3-phenylpropan-1-one |
| MolecularFormula | C20H21N3O2 |
| Smiles | O=C(CCc1ccccc1)N(CC1)CCN1c1nc(cccc2)c2o1 |
| InChI | InChI=1S/C20H21N3O2/c24-19(11-10-16-6-2-1-3-7-16)22-12-14-23(15-13-22)20-21-17-8-4-5-9-18(17)25-20/h1-9H,10-15H2 |
| InChIK | URUDRJDXPZVPBH-UHFFFAOYSA-N |
| TotalMolweight | 335.406 |
| Molweight | 335.406 |
| MonoisotopicMass | 335.163377 |
| CLogP | 3.7723 |
| CLogS | -4.024 |
| H Acceptors | 5 |
| TotalSurfaceArea | 263.48 |
| Relative PSA | 0.17163 |
| PolarSurfaceArea | 49.58 |
| Druglikeness | 5.5559 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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