Zoxazolamine

Name: Zoxazolamine (CAS 61-80-3) – space-filling 3D model – rotation animation, MolGod Viewer
Uploaded: 2026-11-02T14:58:22Z
Duration: 3 s
Channel: MolGod Scientific
Description: Zoxazolamine (CAS 61-80-3) – space-filling 3D model – rotation animation, MolGod Viewer

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

Full record: Zoxazolamine — Safety Data Sheet →

Model views

ball-and-stick 3D model
skeletal 3D model
space-filling 3D model – rotation animation
2D structure

🖨️ 3D print model & licenseMolGod_Print3D_1

ENGRAVEDNORMAL

Zoxazolamine (CAS 61-80-3), C7H5ClN2O - 3D ball-and-stick molecular model, engraved element symbols (C H Cl N O), MolGod STL preview

MG_223-531-695-60 · engraved · 224,164 △ · 11 MB · SHA-256 573fa61e5921c060

Download 3D model: Zoxazolamine, C₇H₅ClN₂O, CAS 61-80-3 · ENGRAVED (C, H, Cl, N, O) · 11 MB

Zoxazolamine (CAS 61-80-3), C7H5ClN2O - 3D ball-and-stick molecular model, MolGod STL preview

MG_223-531-695-60 · normal · 7,136 △ · 349 KB · SHA-256 1ca2037614af8438

Download 3D model: Zoxazolamine, C₇H₅ClN₂O, CAS 61-80-3 · NORMAL · 349 KB

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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 Å², 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 interactive 3D model and the viewer images are protected by copyright (© MolGod.org) — terms of use: molgod.org/copyright/.

Physicochemical properties

Molecular formula	C₇H₅ClN₂O
Molar mass	168.58 g/mol
IUPAC	5-chloro-1,3-benzoxazol-2-amine
SMILES	`C1=CC2=C(C=C1Cl)N=C(O2)N`
InChIKey	`YGCODSQDUUUKIV-UHFFFAOYSA-N`
logP (XLogP3)	2.5
PSA	52.1 Å²
HBD / HBA	1 / 3
PubChem CID	CID 6103 ↗

GHS safety

Signal word: Warning

GHS07

H302 — Harmful if swallowed

H312 — Harmful in contact with skin

H315 — Causes skin irritation

H319 — Causes serious eye irritation

H332 — Harmful if inhaled

H335 — May cause respiratory irritation

Scientific literature

Related literature

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

Zoxazolamine hepatitis.

EISENSTADT HB, ELSTER BB (1961) · JAMA

$ PaywallDOI ↗PubMed ↗

Data from PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary generated by Semantic Scholar TLDR. Articles marked with require paid access.

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

📊 PubChem CID 6103 — NIH
🔬 NIST WebBook — spectroscopy
💊 ChEMBL — bioactivity

Related molecules

α, α,α,4-tetrachlorotoluene (CAS 5216-25-1) CAS 5216-25-1 · C7H4Cl4 Shared hazard H312 5,7-Dichlorobenzo[d]thiazol-2-amine CAS 158465-13-5 · C7H4Cl2N2S Similar structure · Tanimoto 0.32 3-Chloro-5-fluoroaniline CAS 4863-91-6 · C6H5ClFN Shared hazard H332 3-Bromo-4-chloropyridine CAS 36953-42-1 · C5H3BrClN Shared hazard H332

📜 License & provenanceMolGod_License_1

COMPUTED — PubChem3D · 3D conformer computed by PubChem using OMEGA; not an experimental structure.

Model: Zoxazolamine · 61-80-3
InChIKey: YGCODSQDUUUKIV-UHFFFAOYSA-N
License: CC BY-SA 4.0 International
Attribution: MolGod Scientific — Zoxazolamine (CAS 61-80-3)
License & provenance record: Zoxazolamine (CAS 61-80-3) →
MolGod molecule record: Zoxazolamine →
Source data: PubChem CID 6103 ↗
Model information: STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL): 1ca2037614af8438f955010ebf30759092afd42dc065a391131e6dc8fda08eae
MD5 (STL): bf6827c0b1573ac99edec46525e895f8
MolGod Identification Number: MG_223-531-695-60
Transformation: MolGod Scientific ball-and-stick mesh
Changes: Converted into a triangulated molecular mesh; atomic coordinates and connectivity unchanged.
Wikimedia Commons: not published yet

📄 Download 3D model: Zoxazolamine, C₇H₅ClN₂O, CAS 61-80-3 · NORMAL · 349 KB 📄 Download 3D model: Zoxazolamine, C₇H₅ClN₂O, CAS 61-80-3 · ENGRAVED (C, H, Cl, N, O) · 11 MB

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