5-(2-morpholin-4-ylethylamino)-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile
Formula:C16H18N4O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-(2-morpholin-4-ylethylamino)-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile is a drug-like molecule.
| MolName | 5-(2-morpholin-4-ylethylamino)-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile |
| MolecularFormula | C16H18N4O2S |
| Smiles | N#Cc1c(NCCN2CCOCC2)oc(/C=C/c2cccs2)n1 |
| InChI | InChI=1S/C16H18N4O2S/c17-12-14-16(18-5-6-20-7-9-21-10-8-20)22-15(19-14)4-3-13-2-1-11-23-13/h1-4,11,18H,5-10H2 |
| InChIK | SXMMPVCISYOUFY-UHFFFAOYSA-N |
| TotalMolweight | 330.411 |
| Molweight | 330.411 |
| MonoisotopicMass | 330.115046 |
| CLogP | 1.7519 |
| CLogS | -3.367 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 266.44 |
| Relative PSA | 0.31531 |
| PolarSurfaceArea | 102.56 |
| Druglikeness | -0.96457 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 5-(2-morpholin-4-ylethylamino)-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile | 2 - 5-(2-morpholin-4-ylethylamino)-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile
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