Zoxazolamine

C₇H₅ClN₂O — CID 6103

About Zoxazolamine

Zoxazolamine (PubChem CID 6103) has the molecular formula C₇H₅ClN₂O and a molecular weight of 168.58 g/mol. Its IUPAC name is 5-chloro-1,3-benzoxazol-2-amine.

Molecular Properties

• Compound Name: Zoxazolamine
• PubChem CID: 6103
• Molecular Formula: C₇H₅ClN₂O
• Molecular Weight: 168.58 g/mol
• Exact Mass: 168.01
• IUPAC Name: 5-chloro-1,3-benzoxazol-2-amine
• SMILES: Nc1nc2cc(Cl)ccc2o1
• InChI: InChI=1S/C7H5ClN2O/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3H,(H2,9,10)
• InChIKey: YGCODSQDUUUKIV-UHFFFAOYSA-N
• XLogP: 2.06
• TPSA: 52.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Heavy Atoms: 11
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	168.58
LogP ≤ 5	2.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of Zoxazolamine?

The IUPAC name of Zoxazolamine (CID 6103) is 5-chloro-1,3-benzoxazol-2-amine.

What is the SMILES notation for Zoxazolamine?

The canonical SMILES for Zoxazolamine is Nc1nc2cc(Cl)ccc2o1.

What is the InChIKey of Zoxazolamine?

The InChIKey is YGCODSQDUUUKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2O/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3H,(H2,9,10).

What are the key properties of Zoxazolamine?

Zoxazolamine has a molecular weight of 168.58 g/mol, XLogP of 2.06, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Zoxazolamine is sourced from PubChem (CID 6103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 6103 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 2876 — approved-drug record (CC BY-SA 4.0)

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