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

C13H18ClN5O — CID 118741708

IUPAC5-ethyl-3-(4-piperidin-3-ylpyrimidin-5-yl)-1,2,4-oxadiazole;hydrochloride
SMILESCCc1nc(-c2cncnc2C2CCCNC2)no1.Cl
InChIInChI=1S/C13H17N5O.ClH/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;1H
InChIKeyQNCMQEJVCOCYHL-UHFFFAOYSA-N
MW295.77 g/mol
LogP1.98
Rot. Bonds3

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

5-ethyl-3-(4-piperidin-3-ylpyrimidin-5-yl)-1,2,4-oxadiazole;hydrochloride (PubChem CID 118741708) has the molecular formula C13H18ClN5O and a molecular weight of 295.77 g/mol. Its IUPAC name is 5-ethyl-3-(4-piperidin-3-ylpyrimidin-5-yl)-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name5-ethyl-3-(4-piperidin-3-ylpyrimidin-5-yl)-1,2,4-oxadiazole;hydrochloride
PubChem CID118741708
Molecular FormulaC13H18ClN5O
Molecular Weight295.77 g/mol
Exact Mass295.12
IUPAC Name5-ethyl-3-(4-piperidin-3-ylpyrimidin-5-yl)-1,2,4-oxadiazole;hydrochloride
SMILESCCc1nc(-c2cncnc2C2CCCNC2)no1.Cl
InChIInChI=1S/C13H17N5O.ClH/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;1H
InChIKeyQNCMQEJVCOCYHL-UHFFFAOYSA-N
XLogP1.98
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-ethyl-3-(4-piperidin-3-ylpyrimidin-5-yl)-1,2,4-oxadiazole;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-(4-piperidin-3-ylpyrimidin-5-yl)-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 5-ethyl-3-(4-piperidin-3-ylpyrimidin-5-yl)-1,2,4-oxadiazole;hydrochloride (CID 118741708) is 5-ethyl-3-(4-piperidin-3-ylpyrimidin-5-yl)-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 5-ethyl-3-(4-piperidin-3-ylpyrimidin-5-yl)-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 5-ethyl-3-(4-piperidin-3-ylpyrimidin-5-yl)-1,2,4-oxadiazole;hydrochloride is CCc1nc(-c2cncnc2C2CCCNC2)no1.Cl.
What is the InChIKey of 5-ethyl-3-(4-piperidin-3-ylpyrimidin-5-yl)-1,2,4-oxadiazole;hydrochloride?
The InChIKey is QNCMQEJVCOCYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O.ClH/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;1H.
What are the key properties of 5-ethyl-3-(4-piperidin-3-ylpyrimidin-5-yl)-1,2,4-oxadiazole;hydrochloride?
5-ethyl-3-(4-piperidin-3-ylpyrimidin-5-yl)-1,2,4-oxadiazole;hydrochloride has a molecular weight of 295.77 g/mol, XLogP of 1.98, 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;hydrochloride is sourced from PubChem (CID 118741708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).