3,4-dimethyl-5H-1,2,4-oxadiazole

C4H8N2O — CID 54195082

IUPAC3,4-dimethyl-5H-1,2,4-oxadiazole
SMILESCC1=NOCN1C
InChIInChI=1S/C4H8N2O/c1-4-5-7-3-6(4)2/h3H2,1-2H3
InChIKeyPLFPMZKTGFAYGE-UHFFFAOYSA-N
MW100.12 g/mol
LogP0.24
Rot. Bonds

About 3,4-dimethyl-5H-1,2,4-oxadiazole

3,4-dimethyl-5H-1,2,4-oxadiazole (PubChem CID 54195082) has the molecular formula C4H8N2O and a molecular weight of 100.12 g/mol. Its IUPAC name is 3,4-dimethyl-5H-1,2,4-oxadiazole.

Molecular Properties

Compound Name3,4-dimethyl-5H-1,2,4-oxadiazole
PubChem CID54195082
Molecular FormulaC4H8N2O
Molecular Weight100.12 g/mol
Exact Mass100.06
IUPAC Name3,4-dimethyl-5H-1,2,4-oxadiazole
SMILESCC1=NOCN1C
InChIInChI=1S/C4H8N2O/c1-4-5-7-3-6(4)2/h3H2,1-2H3
InChIKeyPLFPMZKTGFAYGE-UHFFFAOYSA-N
XLogP0.24
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-5H-1,2,4-oxadiazole?
The IUPAC name of 3,4-dimethyl-5H-1,2,4-oxadiazole (CID 54195082) is 3,4-dimethyl-5H-1,2,4-oxadiazole.
What is the SMILES notation for 3,4-dimethyl-5H-1,2,4-oxadiazole?
The canonical SMILES for 3,4-dimethyl-5H-1,2,4-oxadiazole is CC1=NOCN1C.
What is the InChIKey of 3,4-dimethyl-5H-1,2,4-oxadiazole?
The InChIKey is PLFPMZKTGFAYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O/c1-4-5-7-3-6(4)2/h3H2,1-2H3.
What are the key properties of 3,4-dimethyl-5H-1,2,4-oxadiazole?
3,4-dimethyl-5H-1,2,4-oxadiazole has a molecular weight of 100.12 g/mol, XLogP of 0.24, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-5H-1,2,4-oxadiazole is sourced from PubChem (CID 54195082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).