5-(2-phenylethylamino)-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile
Formula:C18H15N3OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-(2-phenylethylamino)-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile is a drug-like molecule.
| MolName | 5-(2-phenylethylamino)-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile |
| MolecularFormula | C18H15N3OS |
| Smiles | N#Cc1c(NCCc2ccccc2)oc(/C=C/c2cccs2)n1 |
| InChI | InChI=1S/C18H15N3OS/c19-13-16-18(20-11-10-14-5-2-1-3-6-14)22-17(21-16)9-8-15-7-4-12-23-15/h1-9,12,20H,10-11H2 |
| InChIK | NTVQNXSRZYOSCD-UHFFFAOYSA-N |
| TotalMolweight | 321.403 |
| Molweight | 321.403 |
| MonoisotopicMass | 321.093582 |
| CLogP | 3.9313 |
| CLogS | -5.312 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 264.36 |
| Relative PSA | 0.26653 |
| PolarSurfaceArea | 90.09 |
| Druglikeness | -2.5039 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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