sodium 5,5-dipentyl-1,3-oxazolidin-3-ide-2,4-dione

C13H22NNaO3 — CID 23713048

IUPACsodium 5,5-dipentyl-1,3-oxazolidin-3-ide-2,4-dione
SMILESCCCCCC1(CCCCC)OC(=O)[N-]C1=O.[Na+]
InChIInChI=1S/C13H23NO3.Na/c1-3-5-7-9-13(10-8-6-4-2)11(15)14-12(16)17-13;/h3-10H2,1-2H3,(H,14,15,16);/q;+1/p-1
InChIKeyTZCUXAMLKVREBW-UHFFFAOYSA-M
MW263.31 g/mol
LogP0.94
Rot. Bonds8

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

sodium 5,5-dipentyl-1,3-oxazolidin-3-ide-2,4-dione (PubChem CID 23713048) has the molecular formula C13H22NNaO3 and a molecular weight of 263.31 g/mol. Its IUPAC name is sodium 5,5-dipentyl-1,3-oxazolidin-3-ide-2,4-dione.

Molecular Properties

Compound Namesodium 5,5-dipentyl-1,3-oxazolidin-3-ide-2,4-dione
PubChem CID23713048
Molecular FormulaC13H22NNaO3
Molecular Weight263.31 g/mol
Exact Mass263.15
IUPAC Namesodium 5,5-dipentyl-1,3-oxazolidin-3-ide-2,4-dione
SMILESCCCCCC1(CCCCC)OC(=O)[N-]C1=O.[Na+]
InChIInChI=1S/C13H23NO3.Na/c1-3-5-7-9-13(10-8-6-4-2)11(15)14-12(16)17-13;/h3-10H2,1-2H3,(H,14,15,16);/q;+1/p-1
InChIKeyTZCUXAMLKVREBW-UHFFFAOYSA-M
XLogP0.94
TPSA57.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze sodium 5,5-dipentyl-1,3-oxazolidin-3-ide-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of sodium 5,5-dipentyl-1,3-oxazolidin-3-ide-2,4-dione?
The IUPAC name of sodium 5,5-dipentyl-1,3-oxazolidin-3-ide-2,4-dione (CID 23713048) is sodium 5,5-dipentyl-1,3-oxazolidin-3-ide-2,4-dione.
What is the SMILES notation for sodium 5,5-dipentyl-1,3-oxazolidin-3-ide-2,4-dione?
The canonical SMILES for sodium 5,5-dipentyl-1,3-oxazolidin-3-ide-2,4-dione is CCCCCC1(CCCCC)OC(=O)[N-]C1=O.[Na+].
What is the InChIKey of sodium 5,5-dipentyl-1,3-oxazolidin-3-ide-2,4-dione?
The InChIKey is TZCUXAMLKVREBW-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H23NO3.Na/c1-3-5-7-9-13(10-8-6-4-2)11(15)14-12(16)17-13;/h3-10H2,1-2H3,(H,14,15,16);/q;+1/p-1.
What are the key properties of sodium 5,5-dipentyl-1,3-oxazolidin-3-ide-2,4-dione?
sodium 5,5-dipentyl-1,3-oxazolidin-3-ide-2,4-dione has a molecular weight of 263.31 g/mol, XLogP of 0.94, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 5,5-dipentyl-1,3-oxazolidin-3-ide-2,4-dione is sourced from PubChem (CID 23713048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).