Zoxazolamine

CAS 61-80-3  ·  C7H5ClN2O  ·  MW 168.58 g/mol

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3D model Zoxazolamine, CAS 61-80-3, molecular formula C7H5ClN2O, molar mass 168.58 g/mol
About Zoxazolamine

Zoxazolamine is a chemical compound registered under number CAS 61-80-3, with the molecular formula C7H5ClN2O, and a molar mass of 168.58 g/mol.

The molecule contains 16 atoms connected by 17 chemical bonds. The full systematic IUPAC name of this compound is 5-chloro-1,3-benzoxazol-2-amine. 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 = 2.5 (positive value, a lipophilic compound), polar surface area PSA = 52.1 Ų, 1 donors and 3 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
Molecular formulaC7H5ClN2O
Masa molowa168.58 g/mol
IUPAC5-chloro-1,3-benzoxazol-2-amine
SMILESC1=CC2=C(C=C1Cl)N=C(O2)N
InChIKeyYGCODSQDUUUKIV-UHFFFAOYSA-N
logP (XLogP3)2.5
PSA52.1 Ų
HBD / HBA1 / 3
PubChem CIDCID 6103 ↗
GHS safety

Signal word: Warning

GHS07
GHS07

H302 — Działa szkodliwie po połknięciu

H312 — Działa szkodliwie w kontakcie ze skórą

H315 — Działa drażniąco na skórę

H319 — Działa drażniąco na oczy

H332 — Działa szkodliwie w następstwie wdychania

H335 — Może powodować podrażnienie dróg oddechowych

Scientific literature

Related literature

3 articles · 0 open access · Sources: PubMed, OpenAlex, Semantic Scholar

Filtry:Eksport:📄 BibTeX📑 RIS📋 EndNote🔧 CSL-JSON

📈 Publication timeline (3 articles)

1961: 1 articles19611979: 1 articles19792000: 1 articles2000

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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
Zoxazolamine · 61-80-3 · 2-Amino-5-chlorobenzoxazole · 5-Chloro-1,3-benzoxazol-2-amine · Flexin · Contrazole · Deflexol · Zoxine · 2-Benzoxazolamine, 5-chloro- · 5-Chloro-2-benzoxazolamine · McN-485 · Zoxazolamina · Zoxamine · Zossazolamina · Zoxazolaminum
Data sources
Related molecules
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License & Provenance

MolGod 3D molecular model
Zoxazolamine — CAS 61-80-3

License: CC BY-SA 4.0 (source rights NIEUSTALONE — not yet granted for this model)

MolGod License & Provenance Record:
Zoxazolamine (CAS 61-80-3) — License & Provenance

Source:
Zoxazolamine (CAS 61-80-3) — MolGod molecule record

Source data: PubChem CID 6103

STL: Download 3D model (330 KB)

SHA-256: 3bf29c1a19e65b28e41081f688f48d59b5a78d97949eac7d6cbcec71f1a5b4f7

Wikimedia Commons: not published yet

Source data: PubChem CID 6103

This licence applies to the MolGod-created STL mesh, not automatically to third-party source material.