5-cyclohexyl-3-(4-fluorophenyl)-1,2,4-oxadiazole

C14H15FN2O — CID 817380

IUPAC5-cyclohexyl-3-(4-fluorophenyl)-1,2,4-oxadiazole
SMILESFc1ccc(-c2noc(C3CCCCC3)n2)cc1
InChIInChI=1S/C14H15FN2O/c15-12-8-6-10(7-9-12)13-16-14(18-17-13)11-4-2-1-3-5-11/h6-9,11H,1-5H2
InChIKeyLYIAVMVIAPCAOC-UHFFFAOYSA-N
MW246.28 g/mol
LogP3.92
Rot. Bonds2

About 5-cyclohexyl-3-(4-fluorophenyl)-1,2,4-oxadiazole

5-cyclohexyl-3-(4-fluorophenyl)-1,2,4-oxadiazole (PubChem CID 817380) has the molecular formula C14H15FN2O and a molecular weight of 246.28 g/mol. Its IUPAC name is 5-cyclohexyl-3-(4-fluorophenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-cyclohexyl-3-(4-fluorophenyl)-1,2,4-oxadiazole
PubChem CID817380
Molecular FormulaC14H15FN2O
Molecular Weight246.28 g/mol
Exact Mass246.12
IUPAC Name5-cyclohexyl-3-(4-fluorophenyl)-1,2,4-oxadiazole
SMILESFc1ccc(-c2noc(C3CCCCC3)n2)cc1
InChIInChI=1S/C14H15FN2O/c15-12-8-6-10(7-9-12)13-16-14(18-17-13)11-4-2-1-3-5-11/h6-9,11H,1-5H2
InChIKeyLYIAVMVIAPCAOC-UHFFFAOYSA-N
XLogP3.92
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-3-(4-fluorophenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-cyclohexyl-3-(4-fluorophenyl)-1,2,4-oxadiazole (CID 817380) is 5-cyclohexyl-3-(4-fluorophenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-cyclohexyl-3-(4-fluorophenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-cyclohexyl-3-(4-fluorophenyl)-1,2,4-oxadiazole is Fc1ccc(-c2noc(C3CCCCC3)n2)cc1.
What is the InChIKey of 5-cyclohexyl-3-(4-fluorophenyl)-1,2,4-oxadiazole?
The InChIKey is LYIAVMVIAPCAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c15-12-8-6-10(7-9-12)13-16-14(18-17-13)11-4-2-1-3-5-11/h6-9,11H,1-5H2.
What are the key properties of 5-cyclohexyl-3-(4-fluorophenyl)-1,2,4-oxadiazole?
5-cyclohexyl-3-(4-fluorophenyl)-1,2,4-oxadiazole has a molecular weight of 246.28 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-3-(4-fluorophenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 817380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).