3-(3-methyl-1,2,4-oxadiazol-5-yl)oxetane-3-carboxylic acid

C7H8N2O4 — CID 82406840

IUPAC3-(3-methyl-1,2,4-oxadiazol-5-yl)oxetane-3-carboxylic acid
SMILESCc1noc(C2(C(=O)O)COC2)n1
InChIInChI=1S/C7H8N2O4/c1-4-8-5(13-9-4)7(6(10)11)2-12-3-7/h2-3H2,1H3,(H,10,11)
InChIKeyLFXJSQCZKJNQES-UHFFFAOYSA-N
MW184.15 g/mol
LogP-0.27
Rot. Bonds2

About 3-(3-methyl-1,2,4-oxadiazol-5-yl)oxetane-3-carboxylic acid

3-(3-methyl-1,2,4-oxadiazol-5-yl)oxetane-3-carboxylic acid (PubChem CID 82406840) has the molecular formula C7H8N2O4 and a molecular weight of 184.15 g/mol. Its IUPAC name is 3-(3-methyl-1,2,4-oxadiazol-5-yl)oxetane-3-carboxylic acid.

Molecular Properties

Compound Name3-(3-methyl-1,2,4-oxadiazol-5-yl)oxetane-3-carboxylic acid
PubChem CID82406840
Molecular FormulaC7H8N2O4
Molecular Weight184.15 g/mol
Exact Mass184.05
IUPAC Name3-(3-methyl-1,2,4-oxadiazol-5-yl)oxetane-3-carboxylic acid
SMILESCc1noc(C2(C(=O)O)COC2)n1
InChIInChI=1S/C7H8N2O4/c1-4-8-5(13-9-4)7(6(10)11)2-12-3-7/h2-3H2,1H3,(H,10,11)
InChIKeyLFXJSQCZKJNQES-UHFFFAOYSA-N
XLogP-0.27
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(3-methyl-1,2,4-oxadiazol-5-yl)oxetane-3-carboxylic acid 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 3-(3-methyl-1,2,4-oxadiazol-5-yl)oxetane-3-carboxylic acid?
The IUPAC name of 3-(3-methyl-1,2,4-oxadiazol-5-yl)oxetane-3-carboxylic acid (CID 82406840) is 3-(3-methyl-1,2,4-oxadiazol-5-yl)oxetane-3-carboxylic acid.
What is the SMILES notation for 3-(3-methyl-1,2,4-oxadiazol-5-yl)oxetane-3-carboxylic acid?
The canonical SMILES for 3-(3-methyl-1,2,4-oxadiazol-5-yl)oxetane-3-carboxylic acid is Cc1noc(C2(C(=O)O)COC2)n1.
What is the InChIKey of 3-(3-methyl-1,2,4-oxadiazol-5-yl)oxetane-3-carboxylic acid?
The InChIKey is LFXJSQCZKJNQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O4/c1-4-8-5(13-9-4)7(6(10)11)2-12-3-7/h2-3H2,1H3,(H,10,11).
What are the key properties of 3-(3-methyl-1,2,4-oxadiazol-5-yl)oxetane-3-carboxylic acid?
3-(3-methyl-1,2,4-oxadiazol-5-yl)oxetane-3-carboxylic acid has a molecular weight of 184.15 g/mol, XLogP of -0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-1,2,4-oxadiazol-5-yl)oxetane-3-carboxylic acid is sourced from PubChem (CID 82406840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).