2-(1,2,4-oxadiazol-5-yl)acetic acid

C4H4N2O3 — CID 21312954

IUPAC2-(1,2,4-oxadiazol-5-yl)acetic acid
SMILESO=C(O)Cc1ncno1
InChIInChI=1S/C4H4N2O3/c7-4(8)1-3-5-2-6-9-3/h2H,1H2,(H,7,8)
InChIKeyVEWBFACOFPXUPT-UHFFFAOYSA-N
MW128.09 g/mol
LogP-0.30
Rot. Bonds2

About 2-(1,2,4-oxadiazol-5-yl)acetic acid

2-(1,2,4-oxadiazol-5-yl)acetic acid (PubChem CID 21312954) has the molecular formula C4H4N2O3 and a molecular weight of 128.09 g/mol. Its IUPAC name is 2-(1,2,4-oxadiazol-5-yl)acetic acid.

Molecular Properties

Compound Name2-(1,2,4-oxadiazol-5-yl)acetic acid
PubChem CID21312954
Molecular FormulaC4H4N2O3
Molecular Weight128.09 g/mol
Exact Mass128.02
IUPAC Name2-(1,2,4-oxadiazol-5-yl)acetic acid
SMILESO=C(O)Cc1ncno1
InChIInChI=1S/C4H4N2O3/c7-4(8)1-3-5-2-6-9-3/h2H,1H2,(H,7,8)
InChIKeyVEWBFACOFPXUPT-UHFFFAOYSA-N
XLogP-0.30
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.09
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1,2,4-oxadiazol-5-yl)acetic 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 2-(1,2,4-oxadiazol-5-yl)acetic acid?
The IUPAC name of 2-(1,2,4-oxadiazol-5-yl)acetic acid (CID 21312954) is 2-(1,2,4-oxadiazol-5-yl)acetic acid.
What is the SMILES notation for 2-(1,2,4-oxadiazol-5-yl)acetic acid?
The canonical SMILES for 2-(1,2,4-oxadiazol-5-yl)acetic acid is O=C(O)Cc1ncno1.
What is the InChIKey of 2-(1,2,4-oxadiazol-5-yl)acetic acid?
The InChIKey is VEWBFACOFPXUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2O3/c7-4(8)1-3-5-2-6-9-3/h2H,1H2,(H,7,8).
What are the key properties of 2-(1,2,4-oxadiazol-5-yl)acetic acid?
2-(1,2,4-oxadiazol-5-yl)acetic acid has a molecular weight of 128.09 g/mol, XLogP of -0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,4-oxadiazol-5-yl)acetic acid is sourced from PubChem (CID 21312954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).