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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Related Compounds

methyl 4-[(3-oxo-4H-1,4-benzoxazin-2-yl)methyl]benzoate
CID 22478824
(6S)-6-[(4-acetylphenyl)methyl]-1-methylpiperazine-2,5-dione
CID 142166985
1-[4-(cyclooctylmethyl)phenyl]ethanone
CID 154098727
1-[4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]ethanone
CID 67978631
2-[[4-(dimethylamino)phenyl]methyl]-6-hydroxy-4H-1,4-benzoxazin-3-one
CID 82228734
3-[(4-acetylphenyl)methyl]-1,8-dioxaspiro[4.5]decan-2-one
CID 166439819
1-(4-acetylphenyl)ethanone;methane
CID 159515104
3-(4-acetylphenyl)propanal
CID 11030349
1-[4-[4-(cyclobutylmethyl)phenyl]phenyl]ethanone
CID 18738048
1-[4-(2-iodoethyl)phenyl]ethanone
CID 18402562
1-(4-ethylphenyl)ethanone;formaldehyde
CID 143666715
6-amino-2-[(4-ethylphenyl)methyl]-4H-1,4-benzoxazin-3-one
CID 82228605

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).