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

C15H20N4O — CID 114424986

IUPAC3-(3-ethyl-2-pyridinyl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole
SMILESCCc1cccnc1-c1noc(C2CC(C)CCN2)n1
InChIInChI=1S/C15H20N4O/c1-3-11-5-4-7-17-13(11)14-18-15(20-19-14)12-9-10(2)6-8-16-12/h4-5,7,10,12,16H,3,6,8-9H2,1-2H3
InChIKeyJFVVIFPQDSJLIK-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.75
Rot. Bonds3

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

3-(3-ethyl-2-pyridinyl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole (PubChem CID 114424986) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-(3-ethyl-2-pyridinyl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-ethyl-2-pyridinyl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole
PubChem CID114424986
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name3-(3-ethyl-2-pyridinyl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole
SMILESCCc1cccnc1-c1noc(C2CC(C)CCN2)n1
InChIInChI=1S/C15H20N4O/c1-3-11-5-4-7-17-13(11)14-18-15(20-19-14)12-9-10(2)6-8-16-12/h4-5,7,10,12,16H,3,6,8-9H2,1-2H3
InChIKeyJFVVIFPQDSJLIK-UHFFFAOYSA-N
XLogP2.75
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R,5R)-5-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912505
5-chloro-3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazole
CID 82741728
3-(3,5-dibromo-2-pyridinyl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 114424999
2-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine
CID 82732105
4-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiolan-3-one
CID 83201211
5-(4-methylpiperidin-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
CID 114424820
3-(4-methoxyphenyl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 114424831
3-(2-methyl-1,3-oxazol-4-yl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 114282534
5-(4-methylpiperidin-2-yl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole
CID 114424980
4-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol
CID 83201224
5-(4-methylpiperidin-2-yl)-3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazole
CID 114876582
5-(4-methylpiperidin-2-yl)-3-thiophen-3-yl-1,2,4-oxadiazole
CID 114424841

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-2-pyridinyl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(3-ethyl-2-pyridinyl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole (CID 114424986) is 3-(3-ethyl-2-pyridinyl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-ethyl-2-pyridinyl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-ethyl-2-pyridinyl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole is CCc1cccnc1-c1noc(C2CC(C)CCN2)n1.
What is the InChIKey of 3-(3-ethyl-2-pyridinyl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole?
The InChIKey is JFVVIFPQDSJLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-3-11-5-4-7-17-13(11)14-18-15(20-19-14)12-9-10(2)6-8-16-12/h4-5,7,10,12,16H,3,6,8-9H2,1-2H3.
What are the key properties of 3-(3-ethyl-2-pyridinyl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole?
3-(3-ethyl-2-pyridinyl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole has a molecular weight of 272.35 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-2-pyridinyl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 114424986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).