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

C17H21FN2O — CID 141290235

IUPAC5-(4-fluorophenyl)-3-(4-propylcyclohexyl)-1,2,4-oxadiazole
SMILESCCCC1CCC(c2noc(-c3ccc(F)cc3)n2)CC1
InChIInChI=1S/C17H21FN2O/c1-2-3-12-4-6-13(7-5-12)16-19-17(21-20-16)14-8-10-15(18)11-9-14/h8-13H,2-7H2,1H3
InChIKeyATNJIPPQBMMXSE-UHFFFAOYSA-N
MW288.37 g/mol
LogP4.95
Rot. Bonds4

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

5-(4-fluorophenyl)-3-(4-propylcyclohexyl)-1,2,4-oxadiazole (PubChem CID 141290235) has the molecular formula C17H21FN2O and a molecular weight of 288.37 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-3-(4-propylcyclohexyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-fluorophenyl)-3-(4-propylcyclohexyl)-1,2,4-oxadiazole
PubChem CID141290235
Molecular FormulaC17H21FN2O
Molecular Weight288.37 g/mol
Exact Mass288.16
IUPAC Name5-(4-fluorophenyl)-3-(4-propylcyclohexyl)-1,2,4-oxadiazole
SMILESCCCC1CCC(c2noc(-c3ccc(F)cc3)n2)CC1
InChIInChI=1S/C17H21FN2O/c1-2-3-12-4-6-13(7-5-12)16-19-17(21-20-16)14-8-10-15(18)11-9-14/h8-13H,2-7H2,1H3
InChIKeyATNJIPPQBMMXSE-UHFFFAOYSA-N
XLogP4.95
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-bromophenyl)-3-[4-(4-propylcyclohexyl)cyclohexyl]-1,2,4-oxadiazole
CID 3100648
3-cyclohexyl-5-[4-(4-propylcyclohexyl)phenyl]-1,2,4-oxadiazole
CID 2179964
5-(4-butoxyphenyl)-3-(4-butylcyclohexyl)-1,2,4-oxadiazole
CID 3095315
3-(4-butylcyclohexyl)-5-(4-heptylphenyl)-1,2,4-oxadiazole
CID 3095325
3-(4-hexylcyclohexyl)-5-(4-pentylphenyl)-1,2,4-oxadiazole
CID 4693342
5-[4-(4-octylphenyl)phenyl]-3-[4-(4-propylcyclohexyl)cyclohexyl]-1,2,4-oxadiazole
CID 3100644
5-(4-fluorophenyl)-3-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride
CID 139035121
3-[4-(4-fluorophenyl)phenyl]-5-(4-propylcyclohexyl)-1,2,4-oxadiazole
CID 3095336
5-(4-fluorophenyl)-3-(6-methylpiperidin-3-yl)-1,2,4-oxadiazole
CID 77183129
1-fluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 611152
5-(4-fluorophenyl)-3-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 84696560
2,3-difluoro-1-(4-fluorophenyl)-4-(4-propylcyclohexyl)benzene
CID 118593483

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-3-(4-propylcyclohexyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(4-fluorophenyl)-3-(4-propylcyclohexyl)-1,2,4-oxadiazole (CID 141290235) is 5-(4-fluorophenyl)-3-(4-propylcyclohexyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-fluorophenyl)-3-(4-propylcyclohexyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-fluorophenyl)-3-(4-propylcyclohexyl)-1,2,4-oxadiazole is CCCC1CCC(c2noc(-c3ccc(F)cc3)n2)CC1.
What is the InChIKey of 5-(4-fluorophenyl)-3-(4-propylcyclohexyl)-1,2,4-oxadiazole?
The InChIKey is ATNJIPPQBMMXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O/c1-2-3-12-4-6-13(7-5-12)16-19-17(21-20-16)14-8-10-15(18)11-9-14/h8-13H,2-7H2,1H3.
What are the key properties of 5-(4-fluorophenyl)-3-(4-propylcyclohexyl)-1,2,4-oxadiazole?
5-(4-fluorophenyl)-3-(4-propylcyclohexyl)-1,2,4-oxadiazole has a molecular weight of 288.37 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-3-(4-propylcyclohexyl)-1,2,4-oxadiazole is sourced from PubChem (CID 141290235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).