Oxantel

C₁₃H₁₆N₂O — CID 5281087

About Oxantel

Oxantel (PubChem CID 5281087) has the molecular formula C₁₃H₁₆N₂O and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-[(E)-2-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)ethenyl]phenol.

Molecular Properties

• Compound Name: Oxantel
• PubChem CID: 5281087
• Molecular Formula: C₁₃H₁₆N₂O
• Molecular Weight: 216.28 g/mol
• Exact Mass: 216.13
• IUPAC Name: 3-[(E)-2-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)ethenyl]phenol
• SMILES: CN1CCCN=C1/C=C/c1cccc(O)c1
• InChI: InChI=1S/C13H16N2O/c1-15-9-3-8-14-13(15)7-6-11-4-2-5-12(16)10-11/h2,4-7,10,16H,3,8-9H2,1H3/b7-6+
• InChIKey: VRYKTHBAWRESFI-VOTSOKGWSA-N
• XLogP: 2.14
• TPSA: 35.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	216.28
LogP ≤ 5	2.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of Oxantel?

The IUPAC name of Oxantel (CID 5281087) is 3-[(E)-2-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)ethenyl]phenol.

What is the SMILES notation for Oxantel?

The canonical SMILES for Oxantel is CN1CCCN=C1/C=C/c1cccc(O)c1.

What is the InChIKey of Oxantel?

The InChIKey is VRYKTHBAWRESFI-VOTSOKGWSA-N. The full InChI is InChI=1S/C13H16N2O/c1-15-9-3-8-14-13(15)7-6-11-4-2-5-12(16)10-11/h2,4-7,10,16H,3,8-9H2,1H3/b7-6+.

What are the key properties of Oxantel?

Oxantel has a molecular weight of 216.28 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Oxantel is sourced from PubChem (CID 5281087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 5281087 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 4005 — approved-drug record (CC BY-SA 4.0)

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