3-methyl-5-(2-methylsulfonylpyrimidin-5-yl)-1,2,4-oxadiazole

C8H8N4O3S — CID 162383917

IUPAC3-methyl-5-(2-methylsulfonylpyrimidin-5-yl)-1,2,4-oxadiazole
SMILESCc1noc(-c2cnc(S(C)(=O)=O)nc2)n1
InChIInChI=1S/C8H8N4O3S/c1-5-11-7(15-12-5)6-3-9-8(10-4-6)16(2,13)14/h3-4H,1-2H3
InChIKeyPUPGEBASDBWJAW-UHFFFAOYSA-N
MW240.24 g/mol
LogP0.24
Rot. Bonds2

About 3-methyl-5-(2-methylsulfonylpyrimidin-5-yl)-1,2,4-oxadiazole

3-methyl-5-(2-methylsulfonylpyrimidin-5-yl)-1,2,4-oxadiazole (PubChem CID 162383917) has the molecular formula C8H8N4O3S and a molecular weight of 240.24 g/mol. Its IUPAC name is 3-methyl-5-(2-methylsulfonylpyrimidin-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-(2-methylsulfonylpyrimidin-5-yl)-1,2,4-oxadiazole
PubChem CID162383917
Molecular FormulaC8H8N4O3S
Molecular Weight240.24 g/mol
Exact Mass240.03
IUPAC Name3-methyl-5-(2-methylsulfonylpyrimidin-5-yl)-1,2,4-oxadiazole
SMILESCc1noc(-c2cnc(S(C)(=O)=O)nc2)n1
InChIInChI=1S/C8H8N4O3S/c1-5-11-7(15-12-5)6-3-9-8(10-4-6)16(2,13)14/h3-4H,1-2H3
InChIKeyPUPGEBASDBWJAW-UHFFFAOYSA-N
XLogP0.24
TPSA98.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.24
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(2-methylsulfonylpyrimidin-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-(2-methylsulfonylpyrimidin-5-yl)-1,2,4-oxadiazole (CID 162383917) is 3-methyl-5-(2-methylsulfonylpyrimidin-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-(2-methylsulfonylpyrimidin-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-(2-methylsulfonylpyrimidin-5-yl)-1,2,4-oxadiazole is Cc1noc(-c2cnc(S(C)(=O)=O)nc2)n1.
What is the InChIKey of 3-methyl-5-(2-methylsulfonylpyrimidin-5-yl)-1,2,4-oxadiazole?
The InChIKey is PUPGEBASDBWJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O3S/c1-5-11-7(15-12-5)6-3-9-8(10-4-6)16(2,13)14/h3-4H,1-2H3.
What are the key properties of 3-methyl-5-(2-methylsulfonylpyrimidin-5-yl)-1,2,4-oxadiazole?
3-methyl-5-(2-methylsulfonylpyrimidin-5-yl)-1,2,4-oxadiazole has a molecular weight of 240.24 g/mol, XLogP of 0.24, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(2-methylsulfonylpyrimidin-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 162383917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).