5-methyl-1,2,4-oxadiazole

C3H4N2O — CID 18382065

IUPAC5-methyl-1,2,4-oxadiazole
SMILESCc1ncno1
InChIInChI=1S/C3H4N2O/c1-3-4-2-5-6-3/h2H,1H3
InChIKeyRGTBLCLLSZPOKR-UHFFFAOYSA-N
MW84.08 g/mol
LogP0.38
Rot. Bonds

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

5-methyl-1,2,4-oxadiazole (PubChem CID 18382065) has the molecular formula C3H4N2O and a molecular weight of 84.08 g/mol. Its IUPAC name is 5-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-methyl-1,2,4-oxadiazole
PubChem CID18382065
Molecular FormulaC3H4N2O
Molecular Weight84.08 g/mol
Exact Mass84.03
IUPAC Name5-methyl-1,2,4-oxadiazole
SMILESCc1ncno1
InChIInChI=1S/C3H4N2O/c1-3-4-2-5-6-3/h2H,1H3
InChIKeyRGTBLCLLSZPOKR-UHFFFAOYSA-N
XLogP0.38
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50084.08
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-methyl-1,2,4-oxadiazole (CID 18382065) is 5-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-methyl-1,2,4-oxadiazole is Cc1ncno1.
What is the InChIKey of 5-methyl-1,2,4-oxadiazole?
The InChIKey is RGTBLCLLSZPOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2O/c1-3-4-2-5-6-3/h2H,1H3.
What are the key properties of 5-methyl-1,2,4-oxadiazole?
5-methyl-1,2,4-oxadiazole has a molecular weight of 84.08 g/mol, XLogP of 0.38, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 18382065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).