2-(4-methyl-2,5-dioxo-1,3-oxazolidin-3-yl)-4-phenylbutanal

C14H15NO4 — CID 166811070

IUPAC2-(4-methyl-2,5-dioxo-1,3-oxazolidin-3-yl)-4-phenylbutanal
SMILESCC1C(=O)OC(=O)N1C(C=O)CCc1ccccc1
InChIInChI=1S/C14H15NO4/c1-10-13(17)19-14(18)15(10)12(9-16)8-7-11-5-3-2-4-6-11/h2-6,9-10,12H,7-8H2,1H3
InChIKeyQBZBXGSWJDEQOT-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.55
Rot. Bonds5

About 2-(4-methyl-2,5-dioxo-1,3-oxazolidin-3-yl)-4-phenylbutanal

2-(4-methyl-2,5-dioxo-1,3-oxazolidin-3-yl)-4-phenylbutanal (PubChem CID 166811070) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-(4-methyl-2,5-dioxo-1,3-oxazolidin-3-yl)-4-phenylbutanal.

Molecular Properties

Compound Name2-(4-methyl-2,5-dioxo-1,3-oxazolidin-3-yl)-4-phenylbutanal
PubChem CID166811070
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name2-(4-methyl-2,5-dioxo-1,3-oxazolidin-3-yl)-4-phenylbutanal
SMILESCC1C(=O)OC(=O)N1C(C=O)CCc1ccccc1
InChIInChI=1S/C14H15NO4/c1-10-13(17)19-14(18)15(10)12(9-16)8-7-11-5-3-2-4-6-11/h2-6,9-10,12H,7-8H2,1H3
InChIKeyQBZBXGSWJDEQOT-UHFFFAOYSA-N
XLogP1.55
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 2-(4-methyl-2,5-dioxo-1,3-oxazolidin-3-yl)-4-phenylbutanal with MolForge

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Launch Full Analysis

Related Compounds

ethyl 2-[(4S)-4-methyl-2,5-dioxo-1,3-oxazolidin-3-yl]-4-phenylbutanoate
CID 58897697
(4S)-4-methyl-3-(3-phenylpropanoyl)-1,3-oxazolidine-2,5-dione
CID 59119731
(2S,3R)-2,3-dimethyl-5-phenylpentanal
CID 88857677
(2S,3S)-2-methyl-5-phenyl-3-trimethylsilyloxypentanal
CID 102467698
3-benzhydryl-4-[(E)-but-2-enyl]-1,3-oxazolidine-2,5-dione
CID 139780863
(2S)-2-benzyl-4-phenylbutanal
CID 58416977
2-cyclopropyl-4-phenylbutanal
CID 83829133
(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-phenylpentanal
CID 53259150
(2S)-4-phenylbutan-2-amine
CID 6994564
ethane;5-methyl-3-(2-phenylethyl)-1,3-oxazolidin-2-one
CID 90810932
1-(2-hydroxy-4-phenylbutyl)-3,4-dimethylpyrrolidine-2,5-dione
CID 75521813
(4S)-3,4-dibenzyl-1,3-oxazolidine-2,5-dione
CID 170762067

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2,5-dioxo-1,3-oxazolidin-3-yl)-4-phenylbutanal?
The IUPAC name of 2-(4-methyl-2,5-dioxo-1,3-oxazolidin-3-yl)-4-phenylbutanal (CID 166811070) is 2-(4-methyl-2,5-dioxo-1,3-oxazolidin-3-yl)-4-phenylbutanal.
What is the SMILES notation for 2-(4-methyl-2,5-dioxo-1,3-oxazolidin-3-yl)-4-phenylbutanal?
The canonical SMILES for 2-(4-methyl-2,5-dioxo-1,3-oxazolidin-3-yl)-4-phenylbutanal is CC1C(=O)OC(=O)N1C(C=O)CCc1ccccc1.
What is the InChIKey of 2-(4-methyl-2,5-dioxo-1,3-oxazolidin-3-yl)-4-phenylbutanal?
The InChIKey is QBZBXGSWJDEQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-10-13(17)19-14(18)15(10)12(9-16)8-7-11-5-3-2-4-6-11/h2-6,9-10,12H,7-8H2,1H3.
What are the key properties of 2-(4-methyl-2,5-dioxo-1,3-oxazolidin-3-yl)-4-phenylbutanal?
2-(4-methyl-2,5-dioxo-1,3-oxazolidin-3-yl)-4-phenylbutanal has a molecular weight of 261.28 g/mol, XLogP of 1.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2,5-dioxo-1,3-oxazolidin-3-yl)-4-phenylbutanal is sourced from PubChem (CID 166811070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).