2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-5-methyl-1,3,4-oxadiazole

C12H16N6O2 — CID 72933701

IUPAC2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-5-methyl-1,3,4-oxadiazole
SMILESCOc1ccnc(N2CCN(c3nnc(C)o3)CC2)n1
InChIInChI=1S/C12H16N6O2/c1-9-15-16-12(20-9)18-7-5-17(6-8-18)11-13-4-3-10(14-11)19-2/h3-4H,5-8H2,1-2H3
InChIKeyWIUOJHYZFSTVQL-UHFFFAOYSA-N
MW276.30 g/mol
LogP0.50
Rot. Bonds3

About 2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-5-methyl-1,3,4-oxadiazole

2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-5-methyl-1,3,4-oxadiazole (PubChem CID 72933701) has the molecular formula C12H16N6O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is 2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-5-methyl-1,3,4-oxadiazole
PubChem CID72933701
Molecular FormulaC12H16N6O2
Molecular Weight276.30 g/mol
Exact Mass276.13
IUPAC Name2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-5-methyl-1,3,4-oxadiazole
SMILESCOc1ccnc(N2CCN(c3nnc(C)o3)CC2)n1
InChIInChI=1S/C12H16N6O2/c1-9-15-16-12(20-9)18-7-5-17(6-8-18)11-13-4-3-10(14-11)19-2/h3-4H,5-8H2,1-2H3
InChIKeyWIUOJHYZFSTVQL-UHFFFAOYSA-N
XLogP0.50
TPSA80.41 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-5-methyl-1,3,4-oxadiazole (CID 72933701) is 2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-5-methyl-1,3,4-oxadiazole is COc1ccnc(N2CCN(c3nnc(C)o3)CC2)n1.
What is the InChIKey of 2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-5-methyl-1,3,4-oxadiazole?
The InChIKey is WIUOJHYZFSTVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O2/c1-9-15-16-12(20-9)18-7-5-17(6-8-18)11-13-4-3-10(14-11)19-2/h3-4H,5-8H2,1-2H3.
What are the key properties of 2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-5-methyl-1,3,4-oxadiazole?
2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-5-methyl-1,3,4-oxadiazole has a molecular weight of 276.30 g/mol, XLogP of 0.50, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 72933701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).