Oxazolidin

C₁₉H₂₀N₂O₃ — CID 4641

About Oxazolidin

Oxazolidin (PubChem CID 4641) has the molecular formula C₁₉H₂₀N₂O₃ and a molecular weight of 324.38 g/mol. Its IUPAC name is 4-butyl-1-(4-hydroxyphenyl)-2-phenylpyrazolidine-3,5-dione.

Molecular Properties

• Compound Name: Oxazolidin
• PubChem CID: 4641
• Molecular Formula: C₁₉H₂₀N₂O₃
• Molecular Weight: 324.38 g/mol
• Exact Mass: 324.15
• IUPAC Name: 4-butyl-1-(4-hydroxyphenyl)-2-phenylpyrazolidine-3,5-dione
• SMILES: CCCCC1C(=O)N(c2ccccc2)N(c2ccc(O)cc2)C1=O
• InChI: InChI=1S/C19H20N2O3/c1-2-3-9-17-18(23)20(14-7-5-4-6-8-14)21(19(17)24)15-10-12-16(22)13-11-15/h4-8,10-13,17,22H,2-3,9H2,1H3
• InChIKey: HFHZKZSRXITVMK-UHFFFAOYSA-N
• XLogP: 3.49
• TPSA: 60.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	324.38
LogP ≤ 5	3.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'keto_keto_beta_B(12)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Oxazolidin?

The IUPAC name of Oxazolidin (CID 4641) is 4-butyl-1-(4-hydroxyphenyl)-2-phenylpyrazolidine-3,5-dione.

What is the SMILES notation for Oxazolidin?

The canonical SMILES for Oxazolidin is CCCCC1C(=O)N(c2ccccc2)N(c2ccc(O)cc2)C1=O.

What is the InChIKey of Oxazolidin?

The InChIKey is HFHZKZSRXITVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-2-3-9-17-18(23)20(14-7-5-4-6-8-14)21(19(17)24)15-10-12-16(22)13-11-15/h4-8,10-13,17,22H,2-3,9H2,1H3.

What are the key properties of Oxazolidin?

Oxazolidin has a molecular weight of 324.38 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Oxazolidin is sourced from PubChem (CID 4641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 4641 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 2036 — approved-drug record (CC BY-SA 4.0)

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