3-ethyl-5-methoxy-1,2,4-oxadiazole

C5H8N2O2 — CID 139497377

IUPAC3-ethyl-5-methoxy-1,2,4-oxadiazole
SMILESCCc1noc(OC)n1
InChIInChI=1S/C5H8N2O2/c1-3-4-6-5(8-2)9-7-4/h3H2,1-2H3
InChIKeyXOBNALFBHNGTTO-UHFFFAOYSA-N
MW128.13 g/mol
LogP0.64
Rot. Bonds2

About 3-ethyl-5-methoxy-1,2,4-oxadiazole

3-ethyl-5-methoxy-1,2,4-oxadiazole (PubChem CID 139497377) has the molecular formula C5H8N2O2 and a molecular weight of 128.13 g/mol. Its IUPAC name is 3-ethyl-5-methoxy-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-ethyl-5-methoxy-1,2,4-oxadiazole
PubChem CID139497377
Molecular FormulaC5H8N2O2
Molecular Weight128.13 g/mol
Exact Mass128.06
IUPAC Name3-ethyl-5-methoxy-1,2,4-oxadiazole
SMILESCCc1noc(OC)n1
InChIInChI=1S/C5H8N2O2/c1-3-4-6-5(8-2)9-7-4/h3H2,1-2H3
InChIKeyXOBNALFBHNGTTO-UHFFFAOYSA-N
XLogP0.64
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 ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-methoxy-1,2,4-oxadiazole?
The IUPAC name of 3-ethyl-5-methoxy-1,2,4-oxadiazole (CID 139497377) is 3-ethyl-5-methoxy-1,2,4-oxadiazole.
What is the SMILES notation for 3-ethyl-5-methoxy-1,2,4-oxadiazole?
The canonical SMILES for 3-ethyl-5-methoxy-1,2,4-oxadiazole is CCc1noc(OC)n1.
What is the InChIKey of 3-ethyl-5-methoxy-1,2,4-oxadiazole?
The InChIKey is XOBNALFBHNGTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O2/c1-3-4-6-5(8-2)9-7-4/h3H2,1-2H3.
What are the key properties of 3-ethyl-5-methoxy-1,2,4-oxadiazole?
3-ethyl-5-methoxy-1,2,4-oxadiazole has a molecular weight of 128.13 g/mol, XLogP of 0.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methoxy-1,2,4-oxadiazole is sourced from PubChem (CID 139497377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).