3-(2,6-difluorophenyl)-5-(4-propylcyclohexyl)-1,2,4-oxadiazole

C17H20F2N2O — CID 20967059

IUPAC3-(2,6-difluorophenyl)-5-(4-propylcyclohexyl)-1,2,4-oxadiazole
SMILESCCCC1CCC(c2nc(-c3c(F)cccc3F)no2)CC1
InChIInChI=1S/C17H20F2N2O/c1-2-4-11-7-9-12(10-8-11)17-20-16(21-22-17)15-13(18)5-3-6-14(15)19/h3,5-6,11-12H,2,4,7-10H2,1H3
InChIKeyNXWSATKCSGWPEK-UHFFFAOYSA-N
MW306.36 g/mol
LogP5.09
Rot. Bonds4

About 3-(2,6-difluorophenyl)-5-(4-propylcyclohexyl)-1,2,4-oxadiazole

3-(2,6-difluorophenyl)-5-(4-propylcyclohexyl)-1,2,4-oxadiazole (PubChem CID 20967059) has the molecular formula C17H20F2N2O and a molecular weight of 306.36 g/mol. Its IUPAC name is 3-(2,6-difluorophenyl)-5-(4-propylcyclohexyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2,6-difluorophenyl)-5-(4-propylcyclohexyl)-1,2,4-oxadiazole
PubChem CID20967059
Molecular FormulaC17H20F2N2O
Molecular Weight306.36 g/mol
Exact Mass306.15
IUPAC Name3-(2,6-difluorophenyl)-5-(4-propylcyclohexyl)-1,2,4-oxadiazole
SMILESCCCC1CCC(c2nc(-c3c(F)cccc3F)no2)CC1
InChIInChI=1S/C17H20F2N2O/c1-2-4-11-7-9-12(10-8-11)17-20-16(21-22-17)15-13(18)5-3-6-14(15)19/h3,5-6,11-12H,2,4,7-10H2,1H3
InChIKeyNXWSATKCSGWPEK-UHFFFAOYSA-N
XLogP5.09
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.36
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(4-fluorophenyl)phenyl]-5-(4-propylcyclohexyl)-1,2,4-oxadiazole
CID 3095336
3-(4-bromophenyl)-5-(4-propylcyclohexyl)-1,2,4-oxadiazole
CID 3095342
3-(2,6-difluorophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 53417950
3-(4-chlorophenyl)-5-(4-pentylcyclohexyl)-1,2,4-oxadiazole
CID 3100638
4-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 62716116
5-(4-hexylcyclohexyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 5008897
5-(4-fluorophenyl)-3-(4-propylcyclohexyl)-1,2,4-oxadiazole
CID 141290235
5-piperidin-4-yl-3-(4-propylcyclohexyl)-1,2,4-oxadiazole
CID 65425392
[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 56770489
[4-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 79526044
[4-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 56770532
3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 66031194

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluorophenyl)-5-(4-propylcyclohexyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(2,6-difluorophenyl)-5-(4-propylcyclohexyl)-1,2,4-oxadiazole (CID 20967059) is 3-(2,6-difluorophenyl)-5-(4-propylcyclohexyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2,6-difluorophenyl)-5-(4-propylcyclohexyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(2,6-difluorophenyl)-5-(4-propylcyclohexyl)-1,2,4-oxadiazole is CCCC1CCC(c2nc(-c3c(F)cccc3F)no2)CC1.
What is the InChIKey of 3-(2,6-difluorophenyl)-5-(4-propylcyclohexyl)-1,2,4-oxadiazole?
The InChIKey is NXWSATKCSGWPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N2O/c1-2-4-11-7-9-12(10-8-11)17-20-16(21-22-17)15-13(18)5-3-6-14(15)19/h3,5-6,11-12H,2,4,7-10H2,1H3.
What are the key properties of 3-(2,6-difluorophenyl)-5-(4-propylcyclohexyl)-1,2,4-oxadiazole?
3-(2,6-difluorophenyl)-5-(4-propylcyclohexyl)-1,2,4-oxadiazole has a molecular weight of 306.36 g/mol, XLogP of 5.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluorophenyl)-5-(4-propylcyclohexyl)-1,2,4-oxadiazole is sourced from PubChem (CID 20967059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).