5-[(4-acetylphenyl)methyl]-1,3-oxazolidine-2,4-dione

C12H11NO4 — CID 82390134

IUPAC5-[(4-acetylphenyl)methyl]-1,3-oxazolidine-2,4-dione
SMILESCC(=O)c1ccc(CC2OC(=O)NC2=O)cc1
InChIInChI=1S/C12H11NO4/c1-7(14)9-4-2-8(3-5-9)6-10-11(15)13-12(16)17-10/h2-5,10H,6H2,1H3,(H,13,15,16)
InChIKeyIBSHPXNVYDCZLK-UHFFFAOYSA-N
MW233.22 g/mol
LogP1.07
Rot. Bonds3

About 5-[(4-acetylphenyl)methyl]-1,3-oxazolidine-2,4-dione

5-[(4-acetylphenyl)methyl]-1,3-oxazolidine-2,4-dione (PubChem CID 82390134) has the molecular formula C12H11NO4 and a molecular weight of 233.22 g/mol. Its IUPAC name is 5-[(4-acetylphenyl)methyl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(4-acetylphenyl)methyl]-1,3-oxazolidine-2,4-dione
PubChem CID82390134
Molecular FormulaC12H11NO4
Molecular Weight233.22 g/mol
Exact Mass233.07
IUPAC Name5-[(4-acetylphenyl)methyl]-1,3-oxazolidine-2,4-dione
SMILESCC(=O)c1ccc(CC2OC(=O)NC2=O)cc1
InChIInChI=1S/C12H11NO4/c1-7(14)9-4-2-8(3-5-9)6-10-11(15)13-12(16)17-10/h2-5,10H,6H2,1H3,(H,13,15,16)
InChIKeyIBSHPXNVYDCZLK-UHFFFAOYSA-N
XLogP1.07
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-acetylphenyl)methyl]-1,3-oxazolidine-2,4-dione?
The IUPAC name of 5-[(4-acetylphenyl)methyl]-1,3-oxazolidine-2,4-dione (CID 82390134) is 5-[(4-acetylphenyl)methyl]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 5-[(4-acetylphenyl)methyl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 5-[(4-acetylphenyl)methyl]-1,3-oxazolidine-2,4-dione is CC(=O)c1ccc(CC2OC(=O)NC2=O)cc1.
What is the InChIKey of 5-[(4-acetylphenyl)methyl]-1,3-oxazolidine-2,4-dione?
The InChIKey is IBSHPXNVYDCZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4/c1-7(14)9-4-2-8(3-5-9)6-10-11(15)13-12(16)17-10/h2-5,10H,6H2,1H3,(H,13,15,16).
What are the key properties of 5-[(4-acetylphenyl)methyl]-1,3-oxazolidine-2,4-dione?
5-[(4-acetylphenyl)methyl]-1,3-oxazolidine-2,4-dione has a molecular weight of 233.22 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-acetylphenyl)methyl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 82390134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).