3-(4-fluorophenyl)-5-[2-(1-phenylcyclohexyl)ethyl]-1,2,4-oxadiazole

C22H23FN2O — CID 56948657

IUPAC3-(4-fluorophenyl)-5-[2-(1-phenylcyclohexyl)ethyl]-1,2,4-oxadiazole
SMILESFc1ccc(-c2noc(CCC3(c4ccccc4)CCCCC3)n2)cc1
InChIInChI=1S/C22H23FN2O/c23-19-11-9-17(10-12-19)21-24-20(26-25-21)13-16-22(14-5-2-6-15-22)18-7-3-1-4-8-18/h1,3-4,7-12H,2,5-6,13-16H2
InChIKeyUJSCXIGMKYGOOB-UHFFFAOYSA-N
MW350.44 g/mol
LogP5.71
Rot. Bonds5

About 3-(4-fluorophenyl)-5-[2-(1-phenylcyclohexyl)ethyl]-1,2,4-oxadiazole

3-(4-fluorophenyl)-5-[2-(1-phenylcyclohexyl)ethyl]-1,2,4-oxadiazole (PubChem CID 56948657) has the molecular formula C22H23FN2O and a molecular weight of 350.44 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-[2-(1-phenylcyclohexyl)ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-[2-(1-phenylcyclohexyl)ethyl]-1,2,4-oxadiazole
PubChem CID56948657
Molecular FormulaC22H23FN2O
Molecular Weight350.44 g/mol
Exact Mass350.18
IUPAC Name3-(4-fluorophenyl)-5-[2-(1-phenylcyclohexyl)ethyl]-1,2,4-oxadiazole
SMILESFc1ccc(-c2noc(CCC3(c4ccccc4)CCCCC3)n2)cc1
InChIInChI=1S/C22H23FN2O/c23-19-11-9-17(10-12-19)21-24-20(26-25-21)13-16-22(14-5-2-6-15-22)18-7-3-1-4-8-18/h1,3-4,7-12H,2,5-6,13-16H2
InChIKeyUJSCXIGMKYGOOB-UHFFFAOYSA-N
XLogP5.71
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.44
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-[2-(1-phenylcyclohexyl)ethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(4-fluorophenyl)-5-[2-(1-phenylcyclohexyl)ethyl]-1,2,4-oxadiazole (CID 56948657) is 3-(4-fluorophenyl)-5-[2-(1-phenylcyclohexyl)ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-fluorophenyl)-5-[2-(1-phenylcyclohexyl)ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-fluorophenyl)-5-[2-(1-phenylcyclohexyl)ethyl]-1,2,4-oxadiazole is Fc1ccc(-c2noc(CCC3(c4ccccc4)CCCCC3)n2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-5-[2-(1-phenylcyclohexyl)ethyl]-1,2,4-oxadiazole?
The InChIKey is UJSCXIGMKYGOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O/c23-19-11-9-17(10-12-19)21-24-20(26-25-21)13-16-22(14-5-2-6-15-22)18-7-3-1-4-8-18/h1,3-4,7-12H,2,5-6,13-16H2.
What are the key properties of 3-(4-fluorophenyl)-5-[2-(1-phenylcyclohexyl)ethyl]-1,2,4-oxadiazole?
3-(4-fluorophenyl)-5-[2-(1-phenylcyclohexyl)ethyl]-1,2,4-oxadiazole has a molecular weight of 350.44 g/mol, XLogP of 5.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-[2-(1-phenylcyclohexyl)ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 56948657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).