Oxamarin

C₂₂H₃₄N₂O₄ — CID 27190

About Oxamarin

Oxamarin (PubChem CID 27190) has the molecular formula C₂₂H₃₄N₂O₄ and a molecular weight of 390.52 g/mol. Its IUPAC name is 6,7-bis[2-(diethylamino)ethoxy]-4-methylchromen-2-one.

Molecular Properties

• Compound Name: Oxamarin
• PubChem CID: 27190
• Molecular Formula: C₂₂H₃₄N₂O₄
• Molecular Weight: 390.52 g/mol
• Exact Mass: 390.25
• IUPAC Name: 6,7-bis[2-(diethylamino)ethoxy]-4-methylchromen-2-one
• SMILES: CCN(CC)CCOc1cc2oc(=O)cc(C)c2cc1OCCN(CC)CC
• InChI: InChI=1S/C22H34N2O4/c1-6-23(7-2)10-12-26-20-15-18-17(5)14-22(25)28-19(18)16-21(20)27-13-11-24(8-3)9-4/h14-16H,6-13H2,1-5H3
• InChIKey: KDZPIXVLPYVHDO-UHFFFAOYSA-N
• XLogP: 3.54
• TPSA: 55.15 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.52
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Oxamarin?

The IUPAC name of Oxamarin (CID 27190) is 6,7-bis[2-(diethylamino)ethoxy]-4-methylchromen-2-one.

What is the SMILES notation for Oxamarin?

The canonical SMILES for Oxamarin is CCN(CC)CCOc1cc2oc(=O)cc(C)c2cc1OCCN(CC)CC.

What is the InChIKey of Oxamarin?

The InChIKey is KDZPIXVLPYVHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O4/c1-6-23(7-2)10-12-26-20-15-18-17(5)14-22(25)28-19(18)16-21(20)27-13-11-24(8-3)9-4/h14-16H,6-13H2,1-5H3.

What are the key properties of Oxamarin?

Oxamarin has a molecular weight of 390.52 g/mol, XLogP of 3.54, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for Oxamarin is sourced from PubChem (CID 27190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 27190 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 3404 — approved-drug record (CC BY-SA 4.0)

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