5-morpholin-4-yl-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile
Formula:C14H13N3O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-morpholin-4-yl-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile is a drug-like molecule.
| MolName | 5-morpholin-4-yl-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile |
| MolecularFormula | C14H13N3O2S |
| Smiles | N#Cc1c(N2CCOCC2)oc(/C=C/c2cccs2)n1 |
| InChI | InChI=1S/C14H13N3O2S/c15-10-12-14(17-5-7-18-8-6-17)19-13(16-12)4-3-11-2-1-9-20-11/h1-4,9H,5-8H2 |
| InChIK | BSWQWVJMQYVRLF-UHFFFAOYSA-N |
| TotalMolweight | 287.342 |
| Molweight | 287.342 |
| MonoisotopicMass | 287.072847 |
| CLogP | 2.1051 |
| CLogS | -3.92 |
| H Acceptors | 5 |
| TotalSurfaceArea | 227.46 |
| Relative PSA | 0.31896 |
| PolarSurfaceArea | 90.53 |
| Druglikeness | -2.1564 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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