Chemical substance record

Gaboxadol

64603-91-4C₆H₈N₂O₂140.142 g/mol

Organic/Inorganic Small MoleculeChEBI source record

A member of the class of oxazolopyridines that is 2,3,4,5,6,7-hexahydro[1,2]oxazolo[5,4-c]pyridine substituted by an oxo group at position 3. — ChEBI

Safety references

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Identity & molecular properties

Source-linked values

CAS number	64603-91-4	ChEBI ↗
Molecular formula	C₆H₈N₂O₂	ChEBI ↗
Molar mass	140.142 g/mol	ChEBI ↗
Monoisotopic mass	140.05858 Da	ChEBI ↗
Formal charge	0	ChEBI ↗
ChEBI identifier	CHEBI:34373	ChEBI ↗

Cross-source molecular data

PubChem

Molar mass	140.14 g/mol	PubChem ↗
Exact mass	140.058577502 Da	PubChem ↗
Computed XLogP	-0.9	PubChem ↗
Topological polar surface area (Å²)	50.4	PubChem ↗
H-bond donors	2	PubChem ↗
H-bond acceptors	3	PubChem ↗
Rotatable bonds	0	PubChem ↗

PubChem computed values are shown separately from the ChEBI record. An exact InChIKey match was used to connect the records. Molecular descriptors do not describe a supplied product’s purity, particle size or performance.

Names & structural identifiers

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Source preferred name

gaboxadol

IUPAC name

4,5,6,7-tetrahydro[1,2]oxazolo[5,4-c]pyridin-3(2H)-one

InChIKey

ZXRVKCBLGJOCEE-UHFFFAOYSA-N

SMILES

O=c1noc2c1CCNC2

InChI

InChI=1S/C6H8N2O2/c9-6-4-1-2-7-3-5(4)10-8-6/h7H,1-3H2,(H,8,9)

Names & synonyms

4,5,6,7-tetrahydro[1,2]oxazolo[5,4-c]pyridin-3(2H)-onegaboxadolum

Names are supplied by ChEBI. Trade names and related synonyms may describe a broader product context.

Classification & relationships

ChEBI ontology

oxazolopyridineChEBI parent class · 38765 ↗

organic heterocyclic compound organic molecular entity

Roles recorded in ChEBI

hallucinogensedativeGABAA receptor agonist

Database role annotations describe reported biological or chemical roles; they are not product approvals or recommendations for use.

Mass ↔ amount of substance

Calculated from sourced mass

Amount

Input unit

Equivalent amount

0.00713562 mol

Uses 140.142 g/mol from ChEBI. Assumes the substance described by this record; no purity or concentration correction is applied.

Elemental composition

Theoretical mass fractions

C

Carbon · 6 atoms

51.42%

O

Oxygen · 2 atoms

22.83%

N

Nitrogen · 2 atoms

19.99%

H

Hydrogen · 8 atoms

5.75%

Calculated theoretical mass fractions from the reported formula and PubChem periodic-table atomic masses. These are not assay or purity results.

Research & patent references

Selected source associations

GABA(A) agonists and partial agonists: THIP (Gaboxadol) as a non-opioid analgesic and a novel type of hypnotic. ↗Biochemical pharmacology · 2004 Oct 15 · PMID 15451401

The EEG effects of THIP (Gaboxadol) on sleep and waking are mediated by the GABA(A)delta-subunit-containing receptors. ↗The European journal of neuroscience · 2007 Mar · PMID 17408425

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Sources & record history

Checked 27 Sep 2026

Identity, formula, mass, synonyms & ontologyEMBL-EBI ChEBI · CHEBI:34373

Release 255, 9 September 2026. ChEBI three-star (manually annotated) source entry. View original record ↗ · CC BY 4.0

Additional molecular descriptorsNCBI PubChem · CID 3448 · retrieved 2026-09-27

PubCAS formats source data, connects references and computes explicitly labelled conversions. CAS cross-references are supplied by ChEBI; they do not constitute CAS verification or endorsement.

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