3-(2-methoxy-6-methyl-3-pyridinyl)-5-thiophen-2-yl-1,2,4-oxadiazole

C13H11N3O2S — CID 852902

IUPAC3-(2-methoxy-6-methyl-3-pyridinyl)-5-thiophen-2-yl-1,2,4-oxadiazole
SMILESCOc1nc(C)ccc1-c1noc(-c2cccs2)n1
InChIInChI=1S/C13H11N3O2S/c1-8-5-6-9(12(14-8)17-2)11-15-13(18-16-11)10-4-3-7-19-10/h3-7H,1-2H3
InChIKeyQXVOJQRXLVOULE-UHFFFAOYSA-N
MW273.32 g/mol
LogP3.18
Rot. Bonds3

About 3-(2-methoxy-6-methyl-3-pyridinyl)-5-thiophen-2-yl-1,2,4-oxadiazole

3-(2-methoxy-6-methyl-3-pyridinyl)-5-thiophen-2-yl-1,2,4-oxadiazole (PubChem CID 852902) has the molecular formula C13H11N3O2S and a molecular weight of 273.32 g/mol. Its IUPAC name is 3-(2-methoxy-6-methyl-3-pyridinyl)-5-thiophen-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-methoxy-6-methyl-3-pyridinyl)-5-thiophen-2-yl-1,2,4-oxadiazole
PubChem CID852902
Molecular FormulaC13H11N3O2S
Molecular Weight273.32 g/mol
Exact Mass273.06
IUPAC Name3-(2-methoxy-6-methyl-3-pyridinyl)-5-thiophen-2-yl-1,2,4-oxadiazole
SMILESCOc1nc(C)ccc1-c1noc(-c2cccs2)n1
InChIInChI=1S/C13H11N3O2S/c1-8-5-6-9(12(14-8)17-2)11-15-13(18-16-11)10-4-3-7-19-10/h3-7H,1-2H3
InChIKeyQXVOJQRXLVOULE-UHFFFAOYSA-N
XLogP3.18
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-Ethoxy-3-(3-thien-2-yl-1,2,4-oxadiazol-5-yl)pyridine
CID 5302863
3-[2-Methoxy-6-(4-methoxyphenyl)-3-pyridyl]-5-(2-thienyl)-1,2,4-oxadiazole
CID 664482
2-Methoxy-6-phenyl-3-[5-(2-thienyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 913801
2-Methoxy-6-(3-methoxyphenyl)-3-[5-(thiophen-2-yl)-1,2,4-oxadiazol-3-yl]pyridine
CID 1091867
6-(4-Chlorophenyl)-2-methoxy-3-[5-(thiophen-2-yl)-1,2,4-oxadiazol-3-yl]pyridine
CID 2000920
3-(2-Ethoxy-6-phenylpyridin-3-yl)-5-thiophen-2-yl-1,2,4-oxadiazole
CID 852900
(2-Methoxypyridin-3-yl)(3-(3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl)azetidin-1-yl)methanone
CID 49746327
3-(2-Methoxy-6-methylpyridin-3-yl)-5-phenyl-1,2,4-oxadiazole
CID 913986
Pyridine, 2-ethoxy-6-methyl-3-(5-thiophen-2-yl-[1,2,4]oxadiazol-3-yl)-
CID 852898
3-(2-Methoxyquinolin-3-yl)-5-thiophen-2-yl-1,2,4-oxadiazole
CID 1856171
2-Methoxy-7-methyl-3-[5-(thiophen-2-yl)-1,2,4-oxadiazol-3-yl]quinoline
CID 4366526
3-(2-Methoxy-8-methylquinolin-3-yl)-5-thiophen-2-yl-1,2,4-oxadiazole
CID 934616

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-6-methyl-3-pyridinyl)-5-thiophen-2-yl-1,2,4-oxadiazole?
The IUPAC name of 3-(2-methoxy-6-methyl-3-pyridinyl)-5-thiophen-2-yl-1,2,4-oxadiazole (CID 852902) is 3-(2-methoxy-6-methyl-3-pyridinyl)-5-thiophen-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-methoxy-6-methyl-3-pyridinyl)-5-thiophen-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-methoxy-6-methyl-3-pyridinyl)-5-thiophen-2-yl-1,2,4-oxadiazole is COc1nc(C)ccc1-c1noc(-c2cccs2)n1.
What is the InChIKey of 3-(2-methoxy-6-methyl-3-pyridinyl)-5-thiophen-2-yl-1,2,4-oxadiazole?
The InChIKey is QXVOJQRXLVOULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2S/c1-8-5-6-9(12(14-8)17-2)11-15-13(18-16-11)10-4-3-7-19-10/h3-7H,1-2H3.
What are the key properties of 3-(2-methoxy-6-methyl-3-pyridinyl)-5-thiophen-2-yl-1,2,4-oxadiazole?
3-(2-methoxy-6-methyl-3-pyridinyl)-5-thiophen-2-yl-1,2,4-oxadiazole has a molecular weight of 273.32 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-6-methyl-3-pyridinyl)-5-thiophen-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 852902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).