5-(4-ethylpiperidin-4-yl)-3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole

C16H20FN3O — CID 63125992

IUPAC5-(4-ethylpiperidin-4-yl)-3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole
SMILESCCC1(c2nc(-c3ccc(C)c(F)c3)no2)CCNCC1
InChIInChI=1S/C16H20FN3O/c1-3-16(6-8-18-9-7-16)15-19-14(20-21-15)12-5-4-11(2)13(17)10-12/h4-5,10,18H,3,6-9H2,1-2H3
InChIKeyWLLBTQVIMWYKAG-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.22
Rot. Bonds3

About 5-(4-ethylpiperidin-4-yl)-3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole

5-(4-ethylpiperidin-4-yl)-3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole (PubChem CID 63125992) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is 5-(4-ethylpiperidin-4-yl)-3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-ethylpiperidin-4-yl)-3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole
PubChem CID63125992
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC Name5-(4-ethylpiperidin-4-yl)-3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole
SMILESCCC1(c2nc(-c3ccc(C)c(F)c3)no2)CCNCC1
InChIInChI=1S/C16H20FN3O/c1-3-16(6-8-18-9-7-16)15-19-14(20-21-15)12-5-4-11(2)13(17)10-12/h4-5,10,18H,3,6-9H2,1-2H3
InChIKeyWLLBTQVIMWYKAG-UHFFFAOYSA-N
XLogP3.22
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylpiperidin-4-yl)-3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(4-ethylpiperidin-4-yl)-3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole (CID 63125992) is 5-(4-ethylpiperidin-4-yl)-3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-ethylpiperidin-4-yl)-3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-ethylpiperidin-4-yl)-3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole is CCC1(c2nc(-c3ccc(C)c(F)c3)no2)CCNCC1.
What is the InChIKey of 5-(4-ethylpiperidin-4-yl)-3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is WLLBTQVIMWYKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O/c1-3-16(6-8-18-9-7-16)15-19-14(20-21-15)12-5-4-11(2)13(17)10-12/h4-5,10,18H,3,6-9H2,1-2H3.
What are the key properties of 5-(4-ethylpiperidin-4-yl)-3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole?
5-(4-ethylpiperidin-4-yl)-3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole has a molecular weight of 289.35 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylpiperidin-4-yl)-3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 63125992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).