5-ethyl-3-(4-piperidin-3-ylpyrimidin-5-yl)-1,2,4-oxadiazole

C13H17N5O — CID 110252940

IUPAC5-ethyl-3-(4-piperidin-3-ylpyrimidin-5-yl)-1,2,4-oxadiazole
SMILESCCc1nc(-c2cncnc2C2CCCNC2)no1
InChIInChI=1S/C13H17N5O/c1-2-11-17-13(18-19-11)10-7-15-8-16-12(10)9-4-3-5-14-6-9/h7-9,14H,2-6H2,1H3
InChIKeyXUQFEQMUSFTDFW-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.56
Rot. Bonds3

About 5-ethyl-3-(4-piperidin-3-ylpyrimidin-5-yl)-1,2,4-oxadiazole

5-ethyl-3-(4-piperidin-3-ylpyrimidin-5-yl)-1,2,4-oxadiazole (PubChem CID 110252940) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 5-ethyl-3-(4-piperidin-3-ylpyrimidin-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-ethyl-3-(4-piperidin-3-ylpyrimidin-5-yl)-1,2,4-oxadiazole
PubChem CID110252940
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name5-ethyl-3-(4-piperidin-3-ylpyrimidin-5-yl)-1,2,4-oxadiazole
SMILESCCc1nc(-c2cncnc2C2CCCNC2)no1
InChIInChI=1S/C13H17N5O/c1-2-11-17-13(18-19-11)10-7-15-8-16-12(10)9-4-3-5-14-6-9/h7-9,14H,2-6H2,1H3
InChIKeyXUQFEQMUSFTDFW-UHFFFAOYSA-N
XLogP1.56
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-(4-piperidin-3-ylpyrimidin-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-ethyl-3-(4-piperidin-3-ylpyrimidin-5-yl)-1,2,4-oxadiazole (CID 110252940) is 5-ethyl-3-(4-piperidin-3-ylpyrimidin-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-ethyl-3-(4-piperidin-3-ylpyrimidin-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-ethyl-3-(4-piperidin-3-ylpyrimidin-5-yl)-1,2,4-oxadiazole is CCc1nc(-c2cncnc2C2CCCNC2)no1.
What is the InChIKey of 5-ethyl-3-(4-piperidin-3-ylpyrimidin-5-yl)-1,2,4-oxadiazole?
The InChIKey is XUQFEQMUSFTDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-2-11-17-13(18-19-11)10-7-15-8-16-12(10)9-4-3-5-14-6-9/h7-9,14H,2-6H2,1H3.
What are the key properties of 5-ethyl-3-(4-piperidin-3-ylpyrimidin-5-yl)-1,2,4-oxadiazole?
5-ethyl-3-(4-piperidin-3-ylpyrimidin-5-yl)-1,2,4-oxadiazole has a molecular weight of 259.31 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-(4-piperidin-3-ylpyrimidin-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 110252940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).