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

C14H13N3O2S — CID 852898

IUPAC3-(2-ethoxy-6-methyl-3-pyridinyl)-5-thiophen-2-yl-1,2,4-oxadiazole
SMILESCCOc1nc(C)ccc1-c1noc(-c2cccs2)n1
InChIInChI=1S/C14H13N3O2S/c1-3-18-13-10(7-6-9(2)15-13)12-16-14(19-17-12)11-5-4-8-20-11/h4-8H,3H2,1-2H3
InChIKeyKTZVGAFMHVUBHJ-UHFFFAOYSA-N
MW287.34 g/mol
LogP3.57
Rot. Bonds4

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

3-(2-ethoxy-6-methyl-3-pyridinyl)-5-thiophen-2-yl-1,2,4-oxadiazole (PubChem CID 852898) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is 3-(2-ethoxy-6-methyl-3-pyridinyl)-5-thiophen-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-ethoxy-6-methyl-3-pyridinyl)-5-thiophen-2-yl-1,2,4-oxadiazole
PubChem CID852898
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC Name3-(2-ethoxy-6-methyl-3-pyridinyl)-5-thiophen-2-yl-1,2,4-oxadiazole
SMILESCCOc1nc(C)ccc1-c1noc(-c2cccs2)n1
InChIInChI=1S/C14H13N3O2S/c1-3-18-13-10(7-6-9(2)15-13)12-16-14(19-17-12)11-5-4-8-20-11/h4-8H,3H2,1-2H3
InChIKeyKTZVGAFMHVUBHJ-UHFFFAOYSA-N
XLogP3.57
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-ethoxy-6-methyl-3-pyridinyl)-5-(3,4,5-triethoxyphenyl)-1,2,4-oxadiazole
CID 1091871
3-(2,6-dimethoxyquinolin-3-yl)-5-thiophen-2-yl-1,2,4-oxadiazole
CID 3835386
3-(2-ethoxy-3-pyridinyl)-5-(2-methylquinolin-4-yl)-1,2,4-oxadiazole
CID 166213550
5-[5-[(4-ethoxyphenoxy)methyl]furan-2-yl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 19332854
3-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-5-thiophen-2-yl-1,2,4-oxadiazole
CID 53035951
5-(4-chlorophenyl)-3-(2-ethoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole
CID 2005312
3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 2013900
2,3-diethoxy-5,7-dithiophen-2-ylthieno[3,4-b]pyrazine
CID 102108621
(2R)-2-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methoxy]propanoic acid
CID 104875390
5-(4-methylpyrimidin-5-yl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 99130250
3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 986623
2-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine
CID 115533010

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxy-6-methyl-3-pyridinyl)-5-thiophen-2-yl-1,2,4-oxadiazole?
The IUPAC name of 3-(2-ethoxy-6-methyl-3-pyridinyl)-5-thiophen-2-yl-1,2,4-oxadiazole (CID 852898) is 3-(2-ethoxy-6-methyl-3-pyridinyl)-5-thiophen-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-ethoxy-6-methyl-3-pyridinyl)-5-thiophen-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-ethoxy-6-methyl-3-pyridinyl)-5-thiophen-2-yl-1,2,4-oxadiazole is CCOc1nc(C)ccc1-c1noc(-c2cccs2)n1.
What is the InChIKey of 3-(2-ethoxy-6-methyl-3-pyridinyl)-5-thiophen-2-yl-1,2,4-oxadiazole?
The InChIKey is KTZVGAFMHVUBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c1-3-18-13-10(7-6-9(2)15-13)12-16-14(19-17-12)11-5-4-8-20-11/h4-8H,3H2,1-2H3.
What are the key properties of 3-(2-ethoxy-6-methyl-3-pyridinyl)-5-thiophen-2-yl-1,2,4-oxadiazole?
3-(2-ethoxy-6-methyl-3-pyridinyl)-5-thiophen-2-yl-1,2,4-oxadiazole has a molecular weight of 287.34 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxy-6-methyl-3-pyridinyl)-5-thiophen-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 852898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).