4-benzyl-3-(2-methyldecanoyl)-1,3-oxazolidin-2-one

C21H31NO3 — CID 74430125

IUPAC4-benzyl-3-(2-methyldecanoyl)-1,3-oxazolidin-2-one
SMILESCCCCCCCCC(C)C(=O)N1C(=O)OCC1Cc1ccccc1
InChIInChI=1S/C21H31NO3/c1-3-4-5-6-7-9-12-17(2)20(23)22-19(16-25-21(22)24)15-18-13-10-8-11-14-18/h8,10-11,13-14,17,19H,3-7,9,12,15-16H2,1-2H3
InChIKeyMEHUGOLOYIYPQM-UHFFFAOYSA-N
MW345.48 g/mol
LogP4.96
Rot. Bonds10

About 4-benzyl-3-(2-methyldecanoyl)-1,3-oxazolidin-2-one

4-benzyl-3-(2-methyldecanoyl)-1,3-oxazolidin-2-one (PubChem CID 74430125) has the molecular formula C21H31NO3 and a molecular weight of 345.48 g/mol. Its IUPAC name is 4-benzyl-3-(2-methyldecanoyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-benzyl-3-(2-methyldecanoyl)-1,3-oxazolidin-2-one
PubChem CID74430125
Molecular FormulaC21H31NO3
Molecular Weight345.48 g/mol
Exact Mass345.23
IUPAC Name4-benzyl-3-(2-methyldecanoyl)-1,3-oxazolidin-2-one
SMILESCCCCCCCCC(C)C(=O)N1C(=O)OCC1Cc1ccccc1
InChIInChI=1S/C21H31NO3/c1-3-4-5-6-7-9-12-17(2)20(23)22-19(16-25-21(22)24)15-18-13-10-8-11-14-18/h8,10-11,13-14,17,19H,3-7,9,12,15-16H2,1-2H3
InChIKeyMEHUGOLOYIYPQM-UHFFFAOYSA-N
XLogP4.96
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.48
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-benzyl-3-(2-methyldecanoyl)-1,3-oxazolidin-2-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

4-benzyl-3-[(2S,3S)-3-hydroxy-2-methyldecanoyl]-1,3-oxazolidin-2-one
CID 129245127
(4R)-4-benzyl-3-[(2R)-2-methyl-6-phenylmethoxyhexanoyl]-1,3-oxazolidin-2-one
CID 10318531
(4R)-4-benzyl-3-[(2R)-2-fluoro-3-pentyloctanoyl]-1,3-oxazolidin-2-one
CID 177137934
(4R)-4-benzyl-3-[(2S)-3-fluoro-2-methylpropanoyl]-1,3-oxazolidin-2-one
CID 129274259
4-benzyl-3-(3-bromo-2-methylpropanoyl)-1,3-oxazolidin-2-one
CID 76787138
(4R)-4-benzyl-3-(3-pentyloctanoyl)-1,3-oxazolidin-2-one
CID 177137787
(4R)-4-benzyl-3-undecanoyl-1,3-oxazolidin-2-one
CID 71349223
(4R)-4-benzyl-3-octanoyl-1,3-oxazolidin-2-one
CID 10286343
(4R)-4-benzyl-3-[(2R,3S)-3-hydroxy-2-prop-2-enyloctanoyl]-1,3-oxazolidin-2-one
CID 11175810
(3R)-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-methyl-4-oxobutanal
CID 14609646
(4S)-4-benzyl-3-[(2R,4R)-5-hydroxy-2,4-dimethylpentanoyl]-1,3-oxazolidin-2-one
CID 101262619
4-benzyl-3-[(2S)-2-ethyl-3-methylbutanoyl]-1,3-oxazolidin-2-one
CID 175760920

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-3-(2-methyldecanoyl)-1,3-oxazolidin-2-one?
The IUPAC name of 4-benzyl-3-(2-methyldecanoyl)-1,3-oxazolidin-2-one (CID 74430125) is 4-benzyl-3-(2-methyldecanoyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-benzyl-3-(2-methyldecanoyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 4-benzyl-3-(2-methyldecanoyl)-1,3-oxazolidin-2-one is CCCCCCCCC(C)C(=O)N1C(=O)OCC1Cc1ccccc1.
What is the InChIKey of 4-benzyl-3-(2-methyldecanoyl)-1,3-oxazolidin-2-one?
The InChIKey is MEHUGOLOYIYPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31NO3/c1-3-4-5-6-7-9-12-17(2)20(23)22-19(16-25-21(22)24)15-18-13-10-8-11-14-18/h8,10-11,13-14,17,19H,3-7,9,12,15-16H2,1-2H3.
What are the key properties of 4-benzyl-3-(2-methyldecanoyl)-1,3-oxazolidin-2-one?
4-benzyl-3-(2-methyldecanoyl)-1,3-oxazolidin-2-one has a molecular weight of 345.48 g/mol, XLogP of 4.96, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-3-(2-methyldecanoyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 74430125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).