Chlorzoxazone

C₇H₄ClNO₂ — CID 2733

About Chlorzoxazone

Chlorzoxazone (PubChem CID 2733) has the molecular formula C₇H₄ClNO₂ and a molecular weight of 169.57 g/mol. Its IUPAC name is 5-chloro-3H-1,3-benzoxazol-2-one.

Molecular Properties

• Compound Name: Chlorzoxazone
• PubChem CID: 2733
• Molecular Formula: C₇H₄ClNO₂
• Molecular Weight: 169.57 g/mol
• Exact Mass: 168.99
• IUPAC Name: 5-chloro-3H-1,3-benzoxazol-2-one
• SMILES: O=c1[nH]c2cc(Cl)ccc2o1
• InChI: InChI=1S/C7H4ClNO2/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,(H,9,10)
• InChIKey: TZFWDZFKRBELIQ-UHFFFAOYSA-N
• XLogP: 1.77
• TPSA: 46.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Heavy Atoms: 11
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	169.57
LogP ≤ 5	1.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of Chlorzoxazone?

The IUPAC name of Chlorzoxazone (CID 2733) is 5-chloro-3H-1,3-benzoxazol-2-one.

What is the SMILES notation for Chlorzoxazone?

The canonical SMILES for Chlorzoxazone is O=c1[nH]c2cc(Cl)ccc2o1.

What is the InChIKey of Chlorzoxazone?

The InChIKey is TZFWDZFKRBELIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClNO2/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,(H,9,10).

What are the key properties of Chlorzoxazone?

Chlorzoxazone has a molecular weight of 169.57 g/mol, XLogP of 1.77, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Chlorzoxazone is sourced from PubChem (CID 2733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 2733 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 626 — approved-drug record (CC BY-SA 4.0)

How this page is built: methodology · editorial policy & corrections.