4-(1,3-benzoxazol-2-yl)-N-phenylpiperidine-1-carboxamide
Formula:C19H19N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-(1,3-benzoxazol-2-yl)-N-phenylpiperidine-1-carboxamide is a drug-like molecule.
| MolName | 4-(1,3-benzoxazol-2-yl)-N-phenylpiperidine-1-carboxamide |
| MolecularFormula | C19H19N3O2 |
| Smiles | O=C(Nc1ccccc1)N(CC1)CCC1c1nc(cccc2)c2o1 |
| InChI | InChI=1S/C19H19N3O2/c23-19(20-15-6-2-1-3-7-15)22-12-10-14(11-13-22)18-21-16-8-4-5-9-17(16)24-18/h1-9,14H,10-13H2,(H,20,23) |
| InChIK | RQJZDMFBGPREBP-UHFFFAOYSA-N |
| TotalMolweight | 321.379 |
| Molweight | 321.379 |
| MonoisotopicMass | 321.147727 |
| CLogP | 4.1375 |
| CLogS | -4.093 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 249.62 |
| Relative PSA | 0.21284 |
| PolarSurfaceArea | 58.37 |
| Druglikeness | 4.1433 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amides | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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