sodium 5-pentyl-5-phenyl-1,3-oxazolidin-3-ide-2,4-dione

C14H16NNaO3 — CID 23713032

IUPACsodium 5-pentyl-5-phenyl-1,3-oxazolidin-3-ide-2,4-dione
SMILESCCCCCC1(c2ccccc2)OC(=O)[N-]C1=O.[Na+]
InChIInChI=1S/C14H17NO3.Na/c1-2-3-7-10-14(11-8-5-4-6-9-11)12(16)15-13(17)18-14;/h4-6,8-9H,2-3,7,10H2,1H3,(H,15,16,17);/q;+1/p-1
InChIKeyREZGBBHQGBLKQH-UHFFFAOYSA-M
MW269.28 g/mol
LogP0.52
Rot. Bonds5

About sodium 5-pentyl-5-phenyl-1,3-oxazolidin-3-ide-2,4-dione

sodium 5-pentyl-5-phenyl-1,3-oxazolidin-3-ide-2,4-dione (PubChem CID 23713032) has the molecular formula C14H16NNaO3 and a molecular weight of 269.28 g/mol. Its IUPAC name is sodium 5-pentyl-5-phenyl-1,3-oxazolidin-3-ide-2,4-dione.

Molecular Properties

Compound Namesodium 5-pentyl-5-phenyl-1,3-oxazolidin-3-ide-2,4-dione
PubChem CID23713032
Molecular FormulaC14H16NNaO3
Molecular Weight269.28 g/mol
Exact Mass269.10
IUPAC Namesodium 5-pentyl-5-phenyl-1,3-oxazolidin-3-ide-2,4-dione
SMILESCCCCCC1(c2ccccc2)OC(=O)[N-]C1=O.[Na+]
InChIInChI=1S/C14H17NO3.Na/c1-2-3-7-10-14(11-8-5-4-6-9-11)12(16)15-13(17)18-14;/h4-6,8-9H,2-3,7,10H2,1H3,(H,15,16,17);/q;+1/p-1
InChIKeyREZGBBHQGBLKQH-UHFFFAOYSA-M
XLogP0.52
TPSA57.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium 5-pentyl-5-phenyl-1,3-oxazolidin-3-ide-2,4-dione?
The IUPAC name of sodium 5-pentyl-5-phenyl-1,3-oxazolidin-3-ide-2,4-dione (CID 23713032) is sodium 5-pentyl-5-phenyl-1,3-oxazolidin-3-ide-2,4-dione.
What is the SMILES notation for sodium 5-pentyl-5-phenyl-1,3-oxazolidin-3-ide-2,4-dione?
The canonical SMILES for sodium 5-pentyl-5-phenyl-1,3-oxazolidin-3-ide-2,4-dione is CCCCCC1(c2ccccc2)OC(=O)[N-]C1=O.[Na+].
What is the InChIKey of sodium 5-pentyl-5-phenyl-1,3-oxazolidin-3-ide-2,4-dione?
The InChIKey is REZGBBHQGBLKQH-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H17NO3.Na/c1-2-3-7-10-14(11-8-5-4-6-9-11)12(16)15-13(17)18-14;/h4-6,8-9H,2-3,7,10H2,1H3,(H,15,16,17);/q;+1/p-1.
What are the key properties of sodium 5-pentyl-5-phenyl-1,3-oxazolidin-3-ide-2,4-dione?
sodium 5-pentyl-5-phenyl-1,3-oxazolidin-3-ide-2,4-dione has a molecular weight of 269.28 g/mol, XLogP of 0.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 5-pentyl-5-phenyl-1,3-oxazolidin-3-ide-2,4-dione is sourced from PubChem (CID 23713032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).