METHYL 3-HYDROXY-5-ISOXAZOLECARBOXYLATE (CAS 10068-07-2)

Methyl 3-hydroxyisoxazole-5-carboxylate

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

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3D model Methyl 3-hydroxyisoxazole-5-carboxylate, CAS 10068-07-2, molecular formula C5H5NO4, molar mass 143.10 g/mol
About METHYL 3-HYDROXY-5-ISOXAZOLECARBOXYLATE (CAS 10068-07-2)

METHYL 3-HYDROXY-5-ISOXAZOLECARBOXYLATE (CAS 10068-07-2) 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 widget above may be used for educational, research and commercial purposes.

Physicochemical properties
Wzór sumarycznyC5H5NO4
Masa molowa143.10 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

Related literature

15 artykułów · 6 open access · Źródła: PubMed, OpenAlex, Semantic Scholar

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📈 Timeline publikacji (15 artykułów)

1990: 1 artykułów19902003: 1 artykułów2014: 1 artykułów2015: 2 artykułów20152017: 5 artykułów2025: 1 artykułów2025

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Dane z PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary wygenerowane przez Semantic Scholar TLDR. Artykuły z ikoną wymagają płatnego dostępu.

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
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