5-(benzylamino)-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile
Formula:C17H13N3OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-(benzylamino)-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile is a drug-like molecule.
| MolName | 5-(benzylamino)-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile |
| MolecularFormula | C17H13N3OS |
| Smiles | N#Cc1c(NCc2ccccc2)oc(/C=C/c2cccs2)n1 |
| InChI | InChI=1S/C17H13N3OS/c18-11-15-17(19-12-13-5-2-1-3-6-13)21-16(20-15)9-8-14-7-4-10-22-14/h1-10,19H,12H2 |
| InChIK | XPLXZWQQHNNFBQ-UHFFFAOYSA-N |
| TotalMolweight | 307.376 |
| Molweight | 307.376 |
| MonoisotopicMass | 307.077932 |
| CLogP | 3.5012 |
| CLogS | -5.2 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 250.6 |
| Relative PSA | 0.28117 |
| PolarSurfaceArea | 90.09 |
| Druglikeness | -2.7373 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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