3-(4-acetylphenyl)-2-oxo-1,3-oxazolidine-5-carbaldehyde

C12H11NO4 — CID 131865685

IUPAC3-(4-acetylphenyl)-2-oxo-1,3-oxazolidine-5-carbaldehyde
SMILESCC(=O)c1ccc(N2CC(C=O)OC2=O)cc1
InChIInChI=1S/C12H11NO4/c1-8(15)9-2-4-10(5-3-9)13-6-11(7-14)17-12(13)16/h2-5,7,11H,6H2,1H3
InChIKeyWULRSNKWXRLZCR-UHFFFAOYSA-N
MW233.22 g/mol
LogP1.41
Rot. Bonds3

About 3-(4-acetylphenyl)-2-oxo-1,3-oxazolidine-5-carbaldehyde

3-(4-acetylphenyl)-2-oxo-1,3-oxazolidine-5-carbaldehyde (PubChem CID 131865685) has the molecular formula C12H11NO4 and a molecular weight of 233.22 g/mol. Its IUPAC name is 3-(4-acetylphenyl)-2-oxo-1,3-oxazolidine-5-carbaldehyde.

Molecular Properties

Compound Name3-(4-acetylphenyl)-2-oxo-1,3-oxazolidine-5-carbaldehyde
PubChem CID131865685
Molecular FormulaC12H11NO4
Molecular Weight233.22 g/mol
Exact Mass233.07
IUPAC Name3-(4-acetylphenyl)-2-oxo-1,3-oxazolidine-5-carbaldehyde
SMILESCC(=O)c1ccc(N2CC(C=O)OC2=O)cc1
InChIInChI=1S/C12H11NO4/c1-8(15)9-2-4-10(5-3-9)13-6-11(7-14)17-12(13)16/h2-5,7,11H,6H2,1H3
InChIKeyWULRSNKWXRLZCR-UHFFFAOYSA-N
XLogP1.41
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-acetylphenyl)-2-oxo-1,3-oxazolidine-5-carbaldehyde?
The IUPAC name of 3-(4-acetylphenyl)-2-oxo-1,3-oxazolidine-5-carbaldehyde (CID 131865685) is 3-(4-acetylphenyl)-2-oxo-1,3-oxazolidine-5-carbaldehyde.
What is the SMILES notation for 3-(4-acetylphenyl)-2-oxo-1,3-oxazolidine-5-carbaldehyde?
The canonical SMILES for 3-(4-acetylphenyl)-2-oxo-1,3-oxazolidine-5-carbaldehyde is CC(=O)c1ccc(N2CC(C=O)OC2=O)cc1.
What is the InChIKey of 3-(4-acetylphenyl)-2-oxo-1,3-oxazolidine-5-carbaldehyde?
The InChIKey is WULRSNKWXRLZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4/c1-8(15)9-2-4-10(5-3-9)13-6-11(7-14)17-12(13)16/h2-5,7,11H,6H2,1H3.
What are the key properties of 3-(4-acetylphenyl)-2-oxo-1,3-oxazolidine-5-carbaldehyde?
3-(4-acetylphenyl)-2-oxo-1,3-oxazolidine-5-carbaldehyde has a molecular weight of 233.22 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetylphenyl)-2-oxo-1,3-oxazolidine-5-carbaldehyde is sourced from PubChem (CID 131865685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).