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

C22H22F2N2O — CID 56949137

IUPAC3-(2,4-difluorophenyl)-5-[2-(1-phenylcyclohexyl)ethyl]-1,2,4-oxadiazole
SMILESFc1ccc(-c2noc(CCC3(c4ccccc4)CCCCC3)n2)c(F)c1
InChIInChI=1S/C22H22F2N2O/c23-17-9-10-18(19(24)15-17)21-25-20(27-26-21)11-14-22(12-5-2-6-13-22)16-7-3-1-4-8-16/h1,3-4,7-10,15H,2,5-6,11-14H2
InChIKeyIEHOOLMQRMNLOQ-UHFFFAOYSA-N
MW368.43 g/mol
LogP5.85
Rot. Bonds5

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

3-(2,4-difluorophenyl)-5-[2-(1-phenylcyclohexyl)ethyl]-1,2,4-oxadiazole (PubChem CID 56949137) has the molecular formula C22H22F2N2O and a molecular weight of 368.43 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)-5-[2-(1-phenylcyclohexyl)ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)-5-[2-(1-phenylcyclohexyl)ethyl]-1,2,4-oxadiazole
PubChem CID56949137
Molecular FormulaC22H22F2N2O
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name3-(2,4-difluorophenyl)-5-[2-(1-phenylcyclohexyl)ethyl]-1,2,4-oxadiazole
SMILESFc1ccc(-c2noc(CCC3(c4ccccc4)CCCCC3)n2)c(F)c1
InChIInChI=1S/C22H22F2N2O/c23-17-9-10-18(19(24)15-17)21-25-20(27-26-21)11-14-22(12-5-2-6-13-22)16-7-3-1-4-8-16/h1,3-4,7-10,15H,2,5-6,11-14H2
InChIKeyIEHOOLMQRMNLOQ-UHFFFAOYSA-N
XLogP5.85
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.43
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)-5-[2-(1-phenylcyclohexyl)ethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(2,4-difluorophenyl)-5-[2-(1-phenylcyclohexyl)ethyl]-1,2,4-oxadiazole (CID 56949137) is 3-(2,4-difluorophenyl)-5-[2-(1-phenylcyclohexyl)ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2,4-difluorophenyl)-5-[2-(1-phenylcyclohexyl)ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(2,4-difluorophenyl)-5-[2-(1-phenylcyclohexyl)ethyl]-1,2,4-oxadiazole is Fc1ccc(-c2noc(CCC3(c4ccccc4)CCCCC3)n2)c(F)c1.
What is the InChIKey of 3-(2,4-difluorophenyl)-5-[2-(1-phenylcyclohexyl)ethyl]-1,2,4-oxadiazole?
The InChIKey is IEHOOLMQRMNLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N2O/c23-17-9-10-18(19(24)15-17)21-25-20(27-26-21)11-14-22(12-5-2-6-13-22)16-7-3-1-4-8-16/h1,3-4,7-10,15H,2,5-6,11-14H2.
What are the key properties of 3-(2,4-difluorophenyl)-5-[2-(1-phenylcyclohexyl)ethyl]-1,2,4-oxadiazole?
3-(2,4-difluorophenyl)-5-[2-(1-phenylcyclohexyl)ethyl]-1,2,4-oxadiazole has a molecular weight of 368.43 g/mol, XLogP of 5.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)-5-[2-(1-phenylcyclohexyl)ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 56949137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).