(E)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-3-phenyl-N-(2-piperidin-1-ylethyl)prop-2-enamide
Formula:C21H26N4O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-3-phenyl-N-(2-piperidin-1-ylethyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-3-phenyl-N-(2-piperidin-1-ylethyl)prop-2-enamide |
| MolecularFormula | C21H26N4O3 |
| Smiles | O=C(CN(CCN1CCCCC1)C(/C=C/c1ccccc1)=O)Nc1nocc1 |
| InChI | InChI=1S/C21H26N4O3/c26-20(22-19-11-16-28-23-19)17-25(15-14-24-12-5-2-6-13-24)21(27)10-9-18-7-3-1-4-8-18/h1,3-4,7-11,16H,2,5-6,12-15,17H2,(H,22,23,26) |
| InChIK | MOXZIRSCMRZLFT-UHFFFAOYSA-N |
| TotalMolweight | 382.462 |
| Molweight | 382.462 |
| MonoisotopicMass | 382.200491 |
| CLogP | 2.081 |
| CLogS | -2.904 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 312.11 |
| Relative PSA | 0.22338 |
| PolarSurfaceArea | 78.68 |
| Druglikeness | 3.0397 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 9 |
| Symmetricatoms | 4 |
| Amides | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (E)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-3-phenyl-N-(2-piperidin-1-ylethyl)prop-2-enamide | 2 - (E)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-3-phenyl-N-(2-piperidin-1-ylethyl)prop-2-enamide
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