3-benzyl-4-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-4-oxobutanoic acid

C21H21NO5 — CID 22397352

IUPAC3-benzyl-4-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-4-oxobutanoic acid
SMILESO=C(O)CC(Cc1ccccc1)C(=O)N1C(=O)OCC1Cc1ccccc1
InChIInChI=1S/C21H21NO5/c23-19(24)13-17(11-15-7-3-1-4-8-15)20(25)22-18(14-27-21(22)26)12-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2,(H,23,24)
InChIKeyHFIVXMSMYKQGJD-UHFFFAOYSA-N
MW367.40 g/mol
LogP2.91
Rot. Bonds7

About 3-benzyl-4-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-4-oxobutanoic acid

3-benzyl-4-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-4-oxobutanoic acid (PubChem CID 22397352) has the molecular formula C21H21NO5 and a molecular weight of 367.40 g/mol. Its IUPAC name is 3-benzyl-4-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-4-oxobutanoic acid.

Molecular Properties

Compound Name3-benzyl-4-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-4-oxobutanoic acid
PubChem CID22397352
Molecular FormulaC21H21NO5
Molecular Weight367.40 g/mol
Exact Mass367.14
IUPAC Name3-benzyl-4-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-4-oxobutanoic acid
SMILESO=C(O)CC(Cc1ccccc1)C(=O)N1C(=O)OCC1Cc1ccccc1
InChIInChI=1S/C21H21NO5/c23-19(24)13-17(11-15-7-3-1-4-8-15)20(25)22-18(14-27-21(22)26)12-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2,(H,23,24)
InChIKeyHFIVXMSMYKQGJD-UHFFFAOYSA-N
XLogP2.91
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-benzyl-4-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-4-oxobutanoic acid 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

benzyl 3-benzyl-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-oxobutanoate
CID 70043070
benzyl (3R)-3-benzyl-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-oxobutanoate
CID 18658173
(4R)-4-benzyl-3-[(2S)-2-benzyl-3-methylbutanoyl]-1,3-oxazolidin-2-one
CID 10545886
(2S)-2-benzyl-1-[(4R)-4-ethyl-2-oxo-1,3-oxazolidin-3-yl]pentane-1,4-dione
CID 59100324
tert-butyl (3S)-4-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-oxo-3-[(4-phenylphenyl)methyl]butanoate
CID 59061299
(4S)-4-benzyl-3-[(2R)-2-(hydroxymethyl)butanoyl]-1,3-oxazolidin-2-one
CID 10016346
butyl (3S)-4-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-oxo-3-[(4-phenylphenyl)methyl]butanoate
CID 142061099
(4S)-4-benzyl-3-[(E)-2-methylpent-3-enoyl]-1,3-oxazolidin-2-one
CID 126628879
(4S)-4-benzyl-3-[(2S)-3-(4-hydroxyphenyl)-2-methylpropanoyl]-1,3-oxazolidin-2-one
CID 58566621
(4R)-4-benzyl-3-[(2S)-3-fluoro-2-methylpropanoyl]-1,3-oxazolidin-2-one
CID 129274259
(2R)-1-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-methylbutane-1,3-dione
CID 102120797
benzyl 4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-(naphthalen-1-ylmethyl)-4-oxobutanoate
CID 18658183

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-4-oxobutanoic acid?
The IUPAC name of 3-benzyl-4-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-4-oxobutanoic acid (CID 22397352) is 3-benzyl-4-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-4-oxobutanoic acid.
What is the SMILES notation for 3-benzyl-4-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-4-oxobutanoic acid?
The canonical SMILES for 3-benzyl-4-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-4-oxobutanoic acid is O=C(O)CC(Cc1ccccc1)C(=O)N1C(=O)OCC1Cc1ccccc1.
What is the InChIKey of 3-benzyl-4-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-4-oxobutanoic acid?
The InChIKey is HFIVXMSMYKQGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO5/c23-19(24)13-17(11-15-7-3-1-4-8-15)20(25)22-18(14-27-21(22)26)12-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2,(H,23,24).
What are the key properties of 3-benzyl-4-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-4-oxobutanoic acid?
3-benzyl-4-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-4-oxobutanoic acid has a molecular weight of 367.40 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-4-oxobutanoic acid is sourced from PubChem (CID 22397352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).