3-(1-ethoxyethyl)-5-(1-pyridin-2-ylsulfanylethyl)-1,2,4-oxadiazole

C13H17N3O2S — CID 71917714

IUPAC3-(1-ethoxyethyl)-5-(1-pyridin-2-ylsulfanylethyl)-1,2,4-oxadiazole
SMILESCCOC(C)c1noc(C(C)Sc2ccccn2)n1
InChIInChI=1S/C13H17N3O2S/c1-4-17-9(2)12-15-13(18-16-12)10(3)19-11-7-5-6-8-14-11/h5-10H,4H2,1-3H3
InChIKeyZAXQCAIUCGYIAP-UHFFFAOYSA-N
MW279.37 g/mol
LogP3.42
Rot. Bonds6

About 3-(1-ethoxyethyl)-5-(1-pyridin-2-ylsulfanylethyl)-1,2,4-oxadiazole

3-(1-ethoxyethyl)-5-(1-pyridin-2-ylsulfanylethyl)-1,2,4-oxadiazole (PubChem CID 71917714) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is 3-(1-ethoxyethyl)-5-(1-pyridin-2-ylsulfanylethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-ethoxyethyl)-5-(1-pyridin-2-ylsulfanylethyl)-1,2,4-oxadiazole
PubChem CID71917714
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC Name3-(1-ethoxyethyl)-5-(1-pyridin-2-ylsulfanylethyl)-1,2,4-oxadiazole
SMILESCCOC(C)c1noc(C(C)Sc2ccccn2)n1
InChIInChI=1S/C13H17N3O2S/c1-4-17-9(2)12-15-13(18-16-12)10(3)19-11-7-5-6-8-14-11/h5-10H,4H2,1-3H3
InChIKeyZAXQCAIUCGYIAP-UHFFFAOYSA-N
XLogP3.42
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethoxyethyl)-5-(1-pyridin-2-ylsulfanylethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(1-ethoxyethyl)-5-(1-pyridin-2-ylsulfanylethyl)-1,2,4-oxadiazole (CID 71917714) is 3-(1-ethoxyethyl)-5-(1-pyridin-2-ylsulfanylethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-ethoxyethyl)-5-(1-pyridin-2-ylsulfanylethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-ethoxyethyl)-5-(1-pyridin-2-ylsulfanylethyl)-1,2,4-oxadiazole is CCOC(C)c1noc(C(C)Sc2ccccn2)n1.
What is the InChIKey of 3-(1-ethoxyethyl)-5-(1-pyridin-2-ylsulfanylethyl)-1,2,4-oxadiazole?
The InChIKey is ZAXQCAIUCGYIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-4-17-9(2)12-15-13(18-16-12)10(3)19-11-7-5-6-8-14-11/h5-10H,4H2,1-3H3.
What are the key properties of 3-(1-ethoxyethyl)-5-(1-pyridin-2-ylsulfanylethyl)-1,2,4-oxadiazole?
3-(1-ethoxyethyl)-5-(1-pyridin-2-ylsulfanylethyl)-1,2,4-oxadiazole has a molecular weight of 279.37 g/mol, XLogP of 3.42, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethoxyethyl)-5-(1-pyridin-2-ylsulfanylethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 71917714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).