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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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).