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

C4H6N2O2 — CID 23568550

IUPAC5-methoxy-3-methyl-1,2,4-oxadiazole
SMILESCOc1nc(C)no1
InChIInChI=1S/C4H6N2O2/c1-3-5-4(7-2)8-6-3/h1-2H3
InChIKeyXKYQCTVQVCBFHW-UHFFFAOYSA-N
MW114.10 g/mol
LogP0.39
Rot. Bonds1

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

5-methoxy-3-methyl-1,2,4-oxadiazole (PubChem CID 23568550) has the molecular formula C4H6N2O2 and a molecular weight of 114.10 g/mol. Its IUPAC name is 5-methoxy-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-methoxy-3-methyl-1,2,4-oxadiazole
PubChem CID23568550
Molecular FormulaC4H6N2O2
Molecular Weight114.10 g/mol
Exact Mass114.04
IUPAC Name5-methoxy-3-methyl-1,2,4-oxadiazole
SMILESCOc1nc(C)no1
InChIInChI=1S/C4H6N2O2/c1-3-5-4(7-2)8-6-3/h1-2H3
InChIKeyXKYQCTVQVCBFHW-UHFFFAOYSA-N
XLogP0.39
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.10
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-methoxy-3-methyl-1,2,4-oxadiazole (CID 23568550) is 5-methoxy-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-methoxy-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-methoxy-3-methyl-1,2,4-oxadiazole is COc1nc(C)no1.
What is the InChIKey of 5-methoxy-3-methyl-1,2,4-oxadiazole?
The InChIKey is XKYQCTVQVCBFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O2/c1-3-5-4(7-2)8-6-3/h1-2H3.
What are the key properties of 5-methoxy-3-methyl-1,2,4-oxadiazole?
5-methoxy-3-methyl-1,2,4-oxadiazole has a molecular weight of 114.10 g/mol, XLogP of 0.39, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 23568550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).