1-[4-cyano-2-(4-propoxyphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide
Formula:C19H22N4O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[4-cyano-2-(4-propoxyphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide is a drug-like molecule.
| MolName | 1-[4-cyano-2-(4-propoxyphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide |
| MolecularFormula | C19H22N4O3 |
| Smiles | CCCOc(cc1)ccc1-c1nc(C#N)c(N(CC2)CCC2C(N)=O)o1 |
| InChI | InChI=1S/C19H22N4O3/c1-2-11-25-15-5-3-14(4-6-15)18-22-16(12-20)19(26-18)23-9-7-13(8-10-23)17(21)24/h3-6,13H,2,7-11H2,1H3,(H2,21,24) |
| InChIK | RMRIJGKQEZWFCV-UHFFFAOYSA-N |
| TotalMolweight | 354.409 |
| Molweight | 354.409 |
| MonoisotopicMass | 354.169191 |
| CLogP | 2.3349 |
| CLogS | -5.823 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 283.57 |
| Relative PSA | 0.28388 |
| PolarSurfaceArea | 105.38 |
| Druglikeness | 0.20605 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 10 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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