5-(5-fluoro-2-pyridinyl)-3-(6-methylpiperidin-3-yl)-1,2,4-oxadiazole

C13H15FN4O — CID 77183124

IUPAC5-(5-fluoro-2-pyridinyl)-3-(6-methylpiperidin-3-yl)-1,2,4-oxadiazole
SMILESCC1CCC(c2noc(-c3ccc(F)cn3)n2)CN1
InChIInChI=1S/C13H15FN4O/c1-8-2-3-9(6-15-8)12-17-13(19-18-12)11-5-4-10(14)7-16-11/h4-5,7-9,15H,2-3,6H2,1H3
InChIKeyWXYAHMFKPAFNNZ-UHFFFAOYSA-N
MW262.29 g/mol
LogP2.13
Rot. Bonds2

About 5-(5-fluoro-2-pyridinyl)-3-(6-methylpiperidin-3-yl)-1,2,4-oxadiazole

5-(5-fluoro-2-pyridinyl)-3-(6-methylpiperidin-3-yl)-1,2,4-oxadiazole (PubChem CID 77183124) has the molecular formula C13H15FN4O and a molecular weight of 262.29 g/mol. Its IUPAC name is 5-(5-fluoro-2-pyridinyl)-3-(6-methylpiperidin-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(5-fluoro-2-pyridinyl)-3-(6-methylpiperidin-3-yl)-1,2,4-oxadiazole
PubChem CID77183124
Molecular FormulaC13H15FN4O
Molecular Weight262.29 g/mol
Exact Mass262.12
IUPAC Name5-(5-fluoro-2-pyridinyl)-3-(6-methylpiperidin-3-yl)-1,2,4-oxadiazole
SMILESCC1CCC(c2noc(-c3ccc(F)cn3)n2)CN1
InChIInChI=1S/C13H15FN4O/c1-8-2-3-9(6-15-8)12-17-13(19-18-12)11-5-4-10(14)7-16-11/h4-5,7-9,15H,2-3,6H2,1H3
InChIKeyWXYAHMFKPAFNNZ-UHFFFAOYSA-N
XLogP2.13
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-fluorophenyl)-3-(6-methylpiperidin-3-yl)-1,2,4-oxadiazole
CID 77183129
1-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-3-methylcyclohexan-1-amine
CID 104639528
5-(4-fluorophenyl)-3-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 84696560
(3,4-difluorophenyl)-[3-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 68967446
3-(5-fluoro-2-pyridinyl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 79719777
5-(5-methylpyrazin-2-yl)-3-piperidin-3-yl-1,2,4-oxadiazole
CID 63025950
5-pyridin-2-yl-3-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 86820421
6-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile
CID 113233892
5-pyridin-2-yl-3-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 99727845
6-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile
CID 106525265
5-(4-fluorophenyl)-3-(4-propylcyclohexyl)-1,2,4-oxadiazole
CID 141290235
2-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 104639525

Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-2-pyridinyl)-3-(6-methylpiperidin-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(5-fluoro-2-pyridinyl)-3-(6-methylpiperidin-3-yl)-1,2,4-oxadiazole (CID 77183124) is 5-(5-fluoro-2-pyridinyl)-3-(6-methylpiperidin-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(5-fluoro-2-pyridinyl)-3-(6-methylpiperidin-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(5-fluoro-2-pyridinyl)-3-(6-methylpiperidin-3-yl)-1,2,4-oxadiazole is CC1CCC(c2noc(-c3ccc(F)cn3)n2)CN1.
What is the InChIKey of 5-(5-fluoro-2-pyridinyl)-3-(6-methylpiperidin-3-yl)-1,2,4-oxadiazole?
The InChIKey is WXYAHMFKPAFNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O/c1-8-2-3-9(6-15-8)12-17-13(19-18-12)11-5-4-10(14)7-16-11/h4-5,7-9,15H,2-3,6H2,1H3.
What are the key properties of 5-(5-fluoro-2-pyridinyl)-3-(6-methylpiperidin-3-yl)-1,2,4-oxadiazole?
5-(5-fluoro-2-pyridinyl)-3-(6-methylpiperidin-3-yl)-1,2,4-oxadiazole has a molecular weight of 262.29 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-2-pyridinyl)-3-(6-methylpiperidin-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 77183124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).