5-ethoxy-3-methyl-1,2,4-oxadiazole

C5H8N2O2 — CID 119096397

IUPAC5-ethoxy-3-methyl-1,2,4-oxadiazole
SMILESCCOc1nc(C)no1
InChIInChI=1S/C5H8N2O2/c1-3-8-5-6-4(2)7-9-5/h3H2,1-2H3
InChIKeyCYXWRESQGSLWFW-UHFFFAOYSA-N
MW128.13 g/mol
LogP0.78
Rot. Bonds2

About 5-ethoxy-3-methyl-1,2,4-oxadiazole

5-ethoxy-3-methyl-1,2,4-oxadiazole (PubChem CID 119096397) has the molecular formula C5H8N2O2 and a molecular weight of 128.13 g/mol. Its IUPAC name is 5-ethoxy-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-ethoxy-3-methyl-1,2,4-oxadiazole
PubChem CID119096397
Molecular FormulaC5H8N2O2
Molecular Weight128.13 g/mol
Exact Mass128.06
IUPAC Name5-ethoxy-3-methyl-1,2,4-oxadiazole
SMILESCCOc1nc(C)no1
InChIInChI=1S/C5H8N2O2/c1-3-8-5-6-4(2)7-9-5/h3H2,1-2H3
InChIKeyCYXWRESQGSLWFW-UHFFFAOYSA-N
XLogP0.78
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-ethoxy-3-methyl-1,2,4-oxadiazole (CID 119096397) is 5-ethoxy-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-ethoxy-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-ethoxy-3-methyl-1,2,4-oxadiazole is CCOc1nc(C)no1.
What is the InChIKey of 5-ethoxy-3-methyl-1,2,4-oxadiazole?
The InChIKey is CYXWRESQGSLWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O2/c1-3-8-5-6-4(2)7-9-5/h3H2,1-2H3.
What are the key properties of 5-ethoxy-3-methyl-1,2,4-oxadiazole?
5-ethoxy-3-methyl-1,2,4-oxadiazole has a molecular weight of 128.13 g/mol, XLogP of 0.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 119096397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).