Methyl 3-hydroxyisoxazole-5-carboxylate

CAS 10068-07-2  ·  C5H5NO4  ·  MW 143.10 g/mol

Full record: Methyl 3-hydroxyisoxazole-5-carboxylate — Safety Data Sheet →

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3D model Methyl 3-hydroxyisoxazole-5-carboxylate, CAS 10068-07-2, molecular formula C5H5NO4, molar mass 143.10 g/mol

Model views

  • Methyl 3-hydroxyisoxazole-5-carboxylate (CAS 10068-07-2) – ball-and-stick 3D model, MolGod Viewer
    ball-and-stick 3D model
  • Methyl 3-hydroxyisoxazole-5-carboxylate (CAS 10068-07-2) – skeletal 3D model, MolGod Viewer
    skeletal 3D model
  • space-filling 3D model – rotation animation
  • Methyl 3-hydroxyisoxazole-5-carboxylate (CAS 10068-07-2) – 2D structure, MolGod Viewer
    2D structure

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Methyl 3-hydroxyisoxazole-5-carboxylate (CAS 10068-07-2), C5H5NO4 - 3D ball-and-stick molecular model, MolGod STL previewDownload image

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About Methyl 3-hydroxyisoxazole-5-carboxylate

Methyl 3-hydroxyisoxazole-5-carboxylate is a chemical compound registered under number CAS 10068-07-2, with the molecular formula C5H5NO4, and a molar mass of 143.10 g/mol.

The molecule contains 15 atoms connected by 15 chemical bonds. The full systematic IUPAC name of this compound is methyl 3-oxo-1,2-oxazole-5-carboxylate. The interactive 3D model above lets you view the spatial arrangement of the atoms — you can rotate it with the mouse, zoom with the scroll wheel, and switch between skeletal / Ball & Stick / Space Fill visualization modes.

In terms of physicochemical properties, the partition coefficient logP = -0.2 (negative value, a hydrophilic compound), polar surface area PSA = 64.6 Ų, 1 donors and 4 hydrogen bond acceptors. These parameters are key when assessing bioavailability and interaction with biomolecules.

Chemical data for this compound comes from PubChem (NIH NLM NCBI), one of the world's largest chemical databases. All information is updated automatically and enriched with GHS hazard statement translations compliant with the CLP Regulation (EC 1272/2008). The interactive 3D model and the viewer images are protected by copyright (© MolGod.org) — terms of use: molgod.org/copyright/.

Physicochemical properties
Molecular formulaC5H5NO4
Molar mass143.10 g/mol
IUPACmethyl 3-oxo-1,2-oxazole-5-carboxylate
SMILESCOC(=O)C1=CC(=O)NO1
InChIKeyBBFWUUBQSXVHHZ-UHFFFAOYSA-N
logP (XLogP3)-0.2
PSA64.6 Ų
HBD / HBA1 / 4
PubChem CIDCID 2724585 ↗
Scientific literature

Brak articles naukowych dla CAS 10068-07-2 w PubMed / OpenAlex / Semantic Scholar.

Synonyms
Methyl 3-hydroxyisoxazole-5-carboxylate · RefChem:1089416 · DTXCID10320206 · 10068-07-2 · Methyl 3-hydroxy-5-isoxazolecarboxylate · methyl 3-oxo-1,2-oxazole-5-carboxylate · MFCD00062870 · methyl 3-hydroxy-1,2-oxazole-5-carboxylate · 5-Isoxazolecarboxylic acid, 2,3-dihydro-3-oxo-, methyl ester · 3-Hydroxyisoxazole-5-carboxylic Acid Methyl Ester · methyl 3-oxo-2,3-dihydro-1,2-oxazole-5-carboxylate · SCHEMBL444734 · METHYL-3-HYDROXY-5-ISOXAZOLECARBOXYLATE · AKOS005171519 · methyl 3-hydroxy-isoxazole-5-carboxylate
Data sources
Related molecules
📜 License & provenanceMolGod_License_1
COMPUTED — PubChem3D · 3D conformer computed by PubChem using OMEGA; not an experimental structure.
Model
Methyl 3-hydroxyisoxazole-5-carboxylate · 10068-07-2
InChIKey
BBFWUUBQSXVHHZ-UHFFFAOYSA-N
License
CC BY-SA 4.0 International
Attribution
MolGod Scientific — Methyl 3-hydroxyisoxazole-5-carboxylate (CAS 10068-07-2)
License & provenance record
Methyl 3-hydroxyisoxazole-5-carboxylate (CAS 10068-07-2) →
MolGod molecule record
Methyl 3-hydroxyisoxazole-5-carboxylate →
Source data
PubChem CID 2724585 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
767a922429bb58398a70c9aac8b40c06a69cb088a00b8f2f4fe9e611247aa3e5
MD5 (STL)
5efd06e2451226b3330aa4c3019ed792
MolGod Identification Number
MG_843-190-056-04
Transformation
MolGod Scientific ball-and-stick mesh
Changes
Converted into a triangulated molecular mesh; atomic coordinates and connectivity unchanged.
Wikimedia Commons
STL · PNG
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This 3D model is also published on: Zenodo (DOI 10.5281/zenodo.23526547) · Wikimedia Commons
Included in datasets: Hugging Face · OSF project index
Source structure: PubChem (CID 2724585)
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