Oxprenolol

C₁₅H₂₃NO₃ — CID 4631

About Oxprenolol

Oxprenolol (PubChem CID 4631) has the molecular formula C₁₅H₂₃NO₃ and a molecular weight of 265.35 g/mol. Its IUPAC name is 1-(propan-2-ylamino)-3-(2-prop-2-enoxyphenoxy)propan-2-ol.

Molecular Properties

• Compound Name: Oxprenolol
• PubChem CID: 4631
• Molecular Formula: C₁₅H₂₃NO₃
• Molecular Weight: 265.35 g/mol
• Exact Mass: 265.17
• IUPAC Name: 1-(propan-2-ylamino)-3-(2-prop-2-enoxyphenoxy)propan-2-ol
• SMILES: C=CCOc1ccccc1OCC(O)CNC(C)C
• InChI: InChI=1S/C15H23NO3/c1-4-9-18-14-7-5-6-8-15(14)19-11-13(17)10-16-12(2)3/h4-8,12-13,16-17H,1,9-11H2,2-3H3
• InChIKey: CEMAWMOMDPGJMB-UHFFFAOYSA-N
• XLogP: 1.99
• TPSA: 50.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	265.35
LogP ≤ 5	1.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Oxprenolol?

The IUPAC name of Oxprenolol (CID 4631) is 1-(propan-2-ylamino)-3-(2-prop-2-enoxyphenoxy)propan-2-ol.

What is the SMILES notation for Oxprenolol?

The canonical SMILES for Oxprenolol is C=CCOc1ccccc1OCC(O)CNC(C)C.

What is the InChIKey of Oxprenolol?

The InChIKey is CEMAWMOMDPGJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-4-9-18-14-7-5-6-8-15(14)19-11-13(17)10-16-12(2)3/h4-8,12-13,16-17H,1,9-11H2,2-3H3.

What are the key properties of Oxprenolol?

Oxprenolol has a molecular weight of 265.35 g/mol, XLogP of 1.99, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Oxprenolol is sourced from PubChem (CID 4631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 4631 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 2027 — approved-drug record (CC BY-SA 4.0)

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