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

C13H17N5O2 — CID 102949557

IUPAC3-(6-methoxypyrimidin-4-yl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole
SMILESCOc1cc(-c2noc(C3CC(C)CCN3)n2)ncn1
InChIInChI=1S/C13H17N5O2/c1-8-3-4-14-10(5-8)13-17-12(18-20-13)9-6-11(19-2)16-7-15-9/h6-8,10,14H,3-5H2,1-2H3
InChIKeyIYFHLJXPNAIGQP-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.60
Rot. Bonds3

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

3-(6-methoxypyrimidin-4-yl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole (PubChem CID 102949557) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 3-(6-methoxypyrimidin-4-yl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(6-methoxypyrimidin-4-yl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole
PubChem CID102949557
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name3-(6-methoxypyrimidin-4-yl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole
SMILESCOc1cc(-c2noc(C3CC(C)CCN3)n2)ncn1
InChIInChI=1S/C13H17N5O2/c1-8-3-4-14-10(5-8)13-17-12(18-20-13)9-6-11(19-2)16-7-15-9/h6-8,10,14H,3-5H2,1-2H3
InChIKeyIYFHLJXPNAIGQP-UHFFFAOYSA-N
XLogP1.60
TPSA85.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(4-methoxyphenyl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 114424831
5-(4-methylpiperidin-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
CID 114424820
3-(3-methoxyphenyl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 114424834
3-(2-methyl-1,3-oxazol-4-yl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 114282534
2-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol
CID 102953014
3-(3,5-dibromo-2-pyridinyl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 114424999
3-(3,4-difluorophenyl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 114424842
3-(3-ethyl-2-pyridinyl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 114424986
5-(4-methylpiperidin-2-yl)-3-thiophen-3-yl-1,2,4-oxadiazole
CID 114424841
5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-amine
CID 22361901
5-(4-methylpiperidin-2-yl)-3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazole
CID 114876582
5-(4-methylpiperidin-2-yl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole
CID 114424980

Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxypyrimidin-4-yl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(6-methoxypyrimidin-4-yl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole (CID 102949557) is 3-(6-methoxypyrimidin-4-yl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(6-methoxypyrimidin-4-yl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(6-methoxypyrimidin-4-yl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole is COc1cc(-c2noc(C3CC(C)CCN3)n2)ncn1.
What is the InChIKey of 3-(6-methoxypyrimidin-4-yl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole?
The InChIKey is IYFHLJXPNAIGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-8-3-4-14-10(5-8)13-17-12(18-20-13)9-6-11(19-2)16-7-15-9/h6-8,10,14H,3-5H2,1-2H3.
What are the key properties of 3-(6-methoxypyrimidin-4-yl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole?
3-(6-methoxypyrimidin-4-yl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole has a molecular weight of 275.31 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxypyrimidin-4-yl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 102949557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).