5-(3-morpholin-4-ylpropylamino)-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile
Formula:C17H20N4O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-(3-morpholin-4-ylpropylamino)-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile is a drug-like molecule.
| MolName | 5-(3-morpholin-4-ylpropylamino)-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile |
| MolecularFormula | C17H20N4O2S |
| Smiles | N#Cc1c(NCCCN2CCOCC2)oc(/C=C/c2cccs2)n1 |
| InChI | InChI=1S/C17H20N4O2S/c18-13-15-17(19-6-2-7-21-8-10-22-11-9-21)23-16(20-15)5-4-14-3-1-12-24-14/h1,3-5,12,19H,2,6-11H2 |
| InChIK | WGPHPMBJTBTSNX-UHFFFAOYSA-N |
| TotalMolweight | 344.438 |
| Molweight | 344.438 |
| MonoisotopicMass | 344.130696 |
| CLogP | 2.2063 |
| CLogS | -3.637 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 280.2 |
| Relative PSA | 0.29982 |
| PolarSurfaceArea | 102.56 |
| Druglikeness | -1.0419 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 9 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 5-(3-morpholin-4-ylpropylamino)-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile | 2 - 5-(3-morpholin-4-ylpropylamino)-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile
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