5-(3-imidazol-1-ylpropylamino)-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile
Formula:C16H15N5OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-(3-imidazol-1-ylpropylamino)-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile is a drug-like molecule.
| MolName | 5-(3-imidazol-1-ylpropylamino)-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile |
| MolecularFormula | C16H15N5OS |
| Smiles | N#Cc1c(NCCCn2cncc2)oc(/C=C/c2cccs2)n1 |
| InChI | InChI=1S/C16H15N5OS/c17-11-14-16(19-6-2-8-21-9-7-18-12-21)22-15(20-14)5-4-13-3-1-10-23-13/h1,3-5,7,9-10,12,19H,2,6,8H2 |
| InChIK | LTXPHQJCAWIOPW-UHFFFAOYSA-N |
| TotalMolweight | 325.395 |
| Molweight | 325.395 |
| MonoisotopicMass | 325.09973 |
| CLogP | 2.1752 |
| CLogS | -3.562 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 266.08 |
| Relative PSA | 0.33186 |
| PolarSurfaceArea | 107.91 |
| Druglikeness | 0.13808 |
| 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 | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 3 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 5-(3-imidazol-1-ylpropylamino)-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile | 2 - 5-(3-imidazol-1-ylpropylamino)-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile
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