5-[(E)-2-[1-(4-fluorophenyl)cyclohexyl]ethenyl]-1,2,4-oxadiazole

C16H17FN2O — CID 141324069

IUPAC5-[(E)-2-[1-(4-fluorophenyl)cyclohexyl]ethenyl]-1,2,4-oxadiazole
SMILESFc1ccc(C2(/C=C/c3ncno3)CCCCC2)cc1
InChIInChI=1S/C16H17FN2O/c17-14-6-4-13(5-7-14)16(9-2-1-3-10-16)11-8-15-18-12-19-20-15/h4-8,11-12H,1-3,9-10H2/b11-8+
InChIKeyGNNWPTMAXYUMSP-DHZHZOJOSA-N
MW272.32 g/mol
LogP4.12
Rot. Bonds3

About 5-[(E)-2-[1-(4-fluorophenyl)cyclohexyl]ethenyl]-1,2,4-oxadiazole

5-[(E)-2-[1-(4-fluorophenyl)cyclohexyl]ethenyl]-1,2,4-oxadiazole (PubChem CID 141324069) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is 5-[(E)-2-[1-(4-fluorophenyl)cyclohexyl]ethenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(E)-2-[1-(4-fluorophenyl)cyclohexyl]ethenyl]-1,2,4-oxadiazole
PubChem CID141324069
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC Name5-[(E)-2-[1-(4-fluorophenyl)cyclohexyl]ethenyl]-1,2,4-oxadiazole
SMILESFc1ccc(C2(/C=C/c3ncno3)CCCCC2)cc1
InChIInChI=1S/C16H17FN2O/c17-14-6-4-13(5-7-14)16(9-2-1-3-10-16)11-8-15-18-12-19-20-15/h4-8,11-12H,1-3,9-10H2/b11-8+
InChIKeyGNNWPTMAXYUMSP-DHZHZOJOSA-N
XLogP4.12
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-[1-(4-fluorophenyl)cyclohexyl]ethenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-[(E)-2-[1-(4-fluorophenyl)cyclohexyl]ethenyl]-1,2,4-oxadiazole (CID 141324069) is 5-[(E)-2-[1-(4-fluorophenyl)cyclohexyl]ethenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(E)-2-[1-(4-fluorophenyl)cyclohexyl]ethenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[(E)-2-[1-(4-fluorophenyl)cyclohexyl]ethenyl]-1,2,4-oxadiazole is Fc1ccc(C2(/C=C/c3ncno3)CCCCC2)cc1.
What is the InChIKey of 5-[(E)-2-[1-(4-fluorophenyl)cyclohexyl]ethenyl]-1,2,4-oxadiazole?
The InChIKey is GNNWPTMAXYUMSP-DHZHZOJOSA-N. The full InChI is InChI=1S/C16H17FN2O/c17-14-6-4-13(5-7-14)16(9-2-1-3-10-16)11-8-15-18-12-19-20-15/h4-8,11-12H,1-3,9-10H2/b11-8+.
What are the key properties of 5-[(E)-2-[1-(4-fluorophenyl)cyclohexyl]ethenyl]-1,2,4-oxadiazole?
5-[(E)-2-[1-(4-fluorophenyl)cyclohexyl]ethenyl]-1,2,4-oxadiazole has a molecular weight of 272.32 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-[1-(4-fluorophenyl)cyclohexyl]ethenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 141324069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).