2-methyl-5-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-1,3,4-oxadiazole

C13H17N5O — CID 95845355

IUPAC2-methyl-5-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-1,3,4-oxadiazole
SMILESCc1cc(N2CCC(c3nnc(C)o3)CC2)ncn1
InChIInChI=1S/C13H17N5O/c1-9-7-12(15-8-14-9)18-5-3-11(4-6-18)13-17-16-10(2)19-13/h7-8,11H,3-6H2,1-2H3
InChIKeyYCJPXRMTNKZHGF-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.86
Rot. Bonds2

About 2-methyl-5-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-1,3,4-oxadiazole

2-methyl-5-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-1,3,4-oxadiazole (PubChem CID 95845355) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-methyl-5-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-1,3,4-oxadiazole
PubChem CID95845355
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name2-methyl-5-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-1,3,4-oxadiazole
SMILESCc1cc(N2CCC(c3nnc(C)o3)CC2)ncn1
InChIInChI=1S/C13H17N5O/c1-9-7-12(15-8-14-9)18-5-3-11(4-6-18)13-17-16-10(2)19-13/h7-8,11H,3-6H2,1-2H3
InChIKeyYCJPXRMTNKZHGF-UHFFFAOYSA-N
XLogP1.86
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-1,3,4-oxadiazole (CID 95845355) is 2-methyl-5-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-1,3,4-oxadiazole is Cc1cc(N2CCC(c3nnc(C)o3)CC2)ncn1.
What is the InChIKey of 2-methyl-5-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-1,3,4-oxadiazole?
The InChIKey is YCJPXRMTNKZHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-9-7-12(15-8-14-9)18-5-3-11(4-6-18)13-17-16-10(2)19-13/h7-8,11H,3-6H2,1-2H3.
What are the key properties of 2-methyl-5-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-1,3,4-oxadiazole?
2-methyl-5-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-1,3,4-oxadiazole has a molecular weight of 259.31 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 95845355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).