5-(methoxymethyl)-3-methyl-1,2,4-oxadiazole

C5H8N2O2 — CID 54080369

IUPAC5-(methoxymethyl)-3-methyl-1,2,4-oxadiazole
SMILESCOCc1nc(C)no1
InChIInChI=1S/C5H8N2O2/c1-4-6-5(3-8-2)9-7-4/h3H2,1-2H3
InChIKeyHASPEYZYJAORTL-UHFFFAOYSA-N
MW128.13 g/mol
LogP0.52
Rot. Bonds2

About 5-(methoxymethyl)-3-methyl-1,2,4-oxadiazole

5-(methoxymethyl)-3-methyl-1,2,4-oxadiazole (PubChem CID 54080369) has the molecular formula C5H8N2O2 and a molecular weight of 128.13 g/mol. Its IUPAC name is 5-(methoxymethyl)-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(methoxymethyl)-3-methyl-1,2,4-oxadiazole
PubChem CID54080369
Molecular FormulaC5H8N2O2
Molecular Weight128.13 g/mol
Exact Mass128.06
IUPAC Name5-(methoxymethyl)-3-methyl-1,2,4-oxadiazole
SMILESCOCc1nc(C)no1
InChIInChI=1S/C5H8N2O2/c1-4-6-5(3-8-2)9-7-4/h3H2,1-2H3
InChIKeyHASPEYZYJAORTL-UHFFFAOYSA-N
XLogP0.52
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 ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(methoxymethyl)-3-methyl-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-(methoxymethyl)-3-methyl-1,2,4-oxadiazole (CID 54080369) is 5-(methoxymethyl)-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(methoxymethyl)-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-(methoxymethyl)-3-methyl-1,2,4-oxadiazole is COCc1nc(C)no1.
What is the InChIKey of 5-(methoxymethyl)-3-methyl-1,2,4-oxadiazole?
The InChIKey is HASPEYZYJAORTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O2/c1-4-6-5(3-8-2)9-7-4/h3H2,1-2H3.
What are the key properties of 5-(methoxymethyl)-3-methyl-1,2,4-oxadiazole?
5-(methoxymethyl)-3-methyl-1,2,4-oxadiazole has a molecular weight of 128.13 g/mol, XLogP of 0.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 54080369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).