2-nonyl-3-octanoyl-1,3-oxazolidin-5-one

C20H37NO3 — CID 177182632

IUPAC2-nonyl-3-octanoyl-1,3-oxazolidin-5-one
SMILESCCCCCCCCCC1OC(=O)CN1C(=O)CCCCCCC
InChIInChI=1S/C20H37NO3/c1-3-5-7-9-10-12-14-16-19-21(17-20(23)24-19)18(22)15-13-11-8-6-4-2/h19H,3-17H2,1-2H3
InChIKeyRKTBJHOOYUWWIN-UHFFFAOYSA-N
MW339.52 g/mol
LogP5.20
Rot. Bonds14

About 2-nonyl-3-octanoyl-1,3-oxazolidin-5-one

2-nonyl-3-octanoyl-1,3-oxazolidin-5-one (PubChem CID 177182632) has the molecular formula C20H37NO3 and a molecular weight of 339.52 g/mol. Its IUPAC name is 2-nonyl-3-octanoyl-1,3-oxazolidin-5-one.

Molecular Properties

Compound Name2-nonyl-3-octanoyl-1,3-oxazolidin-5-one
PubChem CID177182632
Molecular FormulaC20H37NO3
Molecular Weight339.52 g/mol
Exact Mass339.28
IUPAC Name2-nonyl-3-octanoyl-1,3-oxazolidin-5-one
SMILESCCCCCCCCCC1OC(=O)CN1C(=O)CCCCCCC
InChIInChI=1S/C20H37NO3/c1-3-5-7-9-10-12-14-16-19-21(17-20(23)24-19)18(22)15-13-11-8-6-4-2/h19H,3-17H2,1-2H3
InChIKeyRKTBJHOOYUWWIN-UHFFFAOYSA-N
XLogP5.20
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.52
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-nonyl-3-octanoyl-1,3-oxazolidin-5-one with MolForge

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

Launch Full Analysis

Related Compounds

1-docosanoylpyrrolidine-2,5-dione
CID 149150583
1-octanoyl-5-oxopiperazine-2-carboxylic acid
CID 107432834
4-dodecyloxetan-2-one
CID 90110174
1-(3-hydroxyazetidin-1-yl)nonan-1-one
CID 63105492
1-(3-hydroxyazetidin-1-yl)dodecan-1-one
CID 65428081
3-heptanoyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 22490329
1-[(2R,5S)-2,5-dimethylmorpholin-4-yl]octan-1-one
CID 98368513
(5S)-5-undecanoyloxolan-2-one
CID 10800956
3-tetradecanoyl-4-tridecyloxetan-2-one
CID 146344704
1-(4-octadecanoylpiperazin-1-yl)octadecan-1-one
CID 550164
1-(oxazetidin-2-yl)decan-1-one
CID 69091095
1-decanoyl-3-methylpyrrolidin-2-one
CID 19035137

Frequently Asked Questions

What is the IUPAC name of 2-nonyl-3-octanoyl-1,3-oxazolidin-5-one?
The IUPAC name of 2-nonyl-3-octanoyl-1,3-oxazolidin-5-one (CID 177182632) is 2-nonyl-3-octanoyl-1,3-oxazolidin-5-one.
What is the SMILES notation for 2-nonyl-3-octanoyl-1,3-oxazolidin-5-one?
The canonical SMILES for 2-nonyl-3-octanoyl-1,3-oxazolidin-5-one is CCCCCCCCCC1OC(=O)CN1C(=O)CCCCCCC.
What is the InChIKey of 2-nonyl-3-octanoyl-1,3-oxazolidin-5-one?
The InChIKey is RKTBJHOOYUWWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37NO3/c1-3-5-7-9-10-12-14-16-19-21(17-20(23)24-19)18(22)15-13-11-8-6-4-2/h19H,3-17H2,1-2H3.
What are the key properties of 2-nonyl-3-octanoyl-1,3-oxazolidin-5-one?
2-nonyl-3-octanoyl-1,3-oxazolidin-5-one has a molecular weight of 339.52 g/mol, XLogP of 5.20, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nonyl-3-octanoyl-1,3-oxazolidin-5-one is sourced from PubChem (CID 177182632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).