4-(3-ethyl-1,2,4-oxadiazol-5-yl)butanoic acid

C8H12N2O3 — CID 29078385

IUPAC4-(3-ethyl-1,2,4-oxadiazol-5-yl)butanoic acid
SMILESCCc1noc(CCCC(=O)O)n1
InChIInChI=1S/C8H12N2O3/c1-2-6-9-7(13-10-6)4-3-5-8(11)12/h2-5H2,1H3,(H,11,12)
InChIKeyXJGAWYPJAQTIGM-UHFFFAOYSA-N
MW184.19 g/mol
LogP1.04
Rot. Bonds5

About 4-(3-ethyl-1,2,4-oxadiazol-5-yl)butanoic acid

4-(3-ethyl-1,2,4-oxadiazol-5-yl)butanoic acid (PubChem CID 29078385) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 4-(3-ethyl-1,2,4-oxadiazol-5-yl)butanoic acid.

Molecular Properties

Compound Name4-(3-ethyl-1,2,4-oxadiazol-5-yl)butanoic acid
PubChem CID29078385
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name4-(3-ethyl-1,2,4-oxadiazol-5-yl)butanoic acid
SMILESCCc1noc(CCCC(=O)O)n1
InChIInChI=1S/C8H12N2O3/c1-2-6-9-7(13-10-6)4-3-5-8(11)12/h2-5H2,1H3,(H,11,12)
InChIKeyXJGAWYPJAQTIGM-UHFFFAOYSA-N
XLogP1.04
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(3-ethyl-1,2,4-oxadiazol-5-yl)butanoic 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 4-(3-ethyl-1,2,4-oxadiazol-5-yl)butanoic acid?
The IUPAC name of 4-(3-ethyl-1,2,4-oxadiazol-5-yl)butanoic acid (CID 29078385) is 4-(3-ethyl-1,2,4-oxadiazol-5-yl)butanoic acid.
What is the SMILES notation for 4-(3-ethyl-1,2,4-oxadiazol-5-yl)butanoic acid?
The canonical SMILES for 4-(3-ethyl-1,2,4-oxadiazol-5-yl)butanoic acid is CCc1noc(CCCC(=O)O)n1.
What is the InChIKey of 4-(3-ethyl-1,2,4-oxadiazol-5-yl)butanoic acid?
The InChIKey is XJGAWYPJAQTIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-2-6-9-7(13-10-6)4-3-5-8(11)12/h2-5H2,1H3,(H,11,12).
What are the key properties of 4-(3-ethyl-1,2,4-oxadiazol-5-yl)butanoic acid?
4-(3-ethyl-1,2,4-oxadiazol-5-yl)butanoic acid has a molecular weight of 184.19 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethyl-1,2,4-oxadiazol-5-yl)butanoic acid is sourced from PubChem (CID 29078385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).