5-pyrrolidin-1-yl-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile
Formula:C14H13N3OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-pyrrolidin-1-yl-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile is a drug-like molecule.
| MolName | 5-pyrrolidin-1-yl-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile |
| MolecularFormula | C14H13N3OS |
| Smiles | N#Cc1c(N2CCCC2)oc(/C=C/c2cccs2)n1 |
| InChI | InChI=1S/C14H13N3OS/c15-10-12-14(17-7-1-2-8-17)18-13(16-12)6-5-11-4-3-9-19-11/h3-6,9H,1-2,7-8H2 |
| InChIK | CBVFGPJTDOSNCV-UHFFFAOYSA-N |
| TotalMolweight | 271.343 |
| Molweight | 271.343 |
| MonoisotopicMass | 271.077932 |
| CLogP | 2.9271 |
| CLogS | -4.539 |
| H Acceptors | 4 |
| TotalSurfaceArea | 217.46 |
| Relative PSA | 0.28764 |
| PolarSurfaceArea | 81.3 |
| Druglikeness | -1.5501 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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