3-(2-methoxyethyl)-1,2,4-oxadiazole

C5H8N2O2 — CID 91346812

IUPAC3-(2-methoxyethyl)-1,2,4-oxadiazole
SMILESCOCCc1ncon1
InChIInChI=1S/C5H8N2O2/c1-8-3-2-5-6-4-9-7-5/h4H,2-3H2,1H3
InChIKeySPWJPSDTJYXISS-UHFFFAOYSA-N
MW128.13 g/mol
LogP0.26
Rot. Bonds3

About 3-(2-methoxyethyl)-1,2,4-oxadiazole

3-(2-methoxyethyl)-1,2,4-oxadiazole (PubChem CID 91346812) has the molecular formula C5H8N2O2 and a molecular weight of 128.13 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-methoxyethyl)-1,2,4-oxadiazole
PubChem CID91346812
Molecular FormulaC5H8N2O2
Molecular Weight128.13 g/mol
Exact Mass128.06
IUPAC Name3-(2-methoxyethyl)-1,2,4-oxadiazole
SMILESCOCCc1ncon1
InChIInChI=1S/C5H8N2O2/c1-8-3-2-5-6-4-9-7-5/h4H,2-3H2,1H3
InChIKeySPWJPSDTJYXISS-UHFFFAOYSA-N
XLogP0.26
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(2-methoxyethyl)-1,2,4-oxadiazole (CID 91346812) is 3-(2-methoxyethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-methoxyethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-methoxyethyl)-1,2,4-oxadiazole is COCCc1ncon1.
What is the InChIKey of 3-(2-methoxyethyl)-1,2,4-oxadiazole?
The InChIKey is SPWJPSDTJYXISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O2/c1-8-3-2-5-6-4-9-7-5/h4H,2-3H2,1H3.
What are the key properties of 3-(2-methoxyethyl)-1,2,4-oxadiazole?
3-(2-methoxyethyl)-1,2,4-oxadiazole has a molecular weight of 128.13 g/mol, XLogP of 0.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 91346812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).