(5R)-3-(4-acetylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one

C12H13NO4 — CID 15591327

IUPAC(5R)-3-(4-acetylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one
SMILESCC(=O)c1ccc(N2C[C@H](CO)OC2=O)cc1
InChIInChI=1S/C12H13NO4/c1-8(15)9-2-4-10(5-3-9)13-6-11(7-14)17-12(13)16/h2-5,11,14H,6-7H2,1H3/t11-/m1/s1
InChIKeyZAEPGMOWWSWNQU-LLVKDONJSA-N
MW235.24 g/mol
LogP1.21
Rot. Bonds3

About (5R)-3-(4-acetylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one

(5R)-3-(4-acetylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one (PubChem CID 15591327) has the molecular formula C12H13NO4 and a molecular weight of 235.24 g/mol. Its IUPAC name is (5R)-3-(4-acetylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-(4-acetylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one
PubChem CID15591327
Molecular FormulaC12H13NO4
Molecular Weight235.24 g/mol
Exact Mass235.08
IUPAC Name(5R)-3-(4-acetylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one
SMILESCC(=O)c1ccc(N2C[C@H](CO)OC2=O)cc1
InChIInChI=1S/C12H13NO4/c1-8(15)9-2-4-10(5-3-9)13-6-11(7-14)17-12(13)16/h2-5,11,14H,6-7H2,1H3/t11-/m1/s1
InChIKeyZAEPGMOWWSWNQU-LLVKDONJSA-N
XLogP1.21
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]benzoic acid
CID 117063705
5-(hydroxymethyl)-3-(4-methylsulfinylphenyl)-1,3-oxazolidin-2-one
CID 13038088
5-(hydroxymethyl)-3-(4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one
CID 22014481
5-(hydroxymethyl)-3-[4-(methoxyamino)phenyl]-1,3-oxazolidin-2-one
CID 143663891
(5R)-5-(hydroxymethyl)-3-pyridin-4-yl-1,3-oxazolidin-2-one
CID 115056906
3-(4-acetylphenyl)-2-oxo-1,3-oxazolidine-5-carbaldehyde
CID 131865685
(5R)-5-(hydroxymethyl)-3-(4-nitrophenyl)-1,3-oxazolidin-2-one
CID 58777713
4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]benzamide
CID 175803957
1-[4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]phenyl]ethanone
CID 102933196
5-(hydroxymethyl)-3-naphthalen-2-yl-1,3-oxazolidin-2-one
CID 19012505
(5R)-5-(hydroxymethyl)-3-[4-[4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenyl]phenyl]-1,3-oxazolidin-2-one
CID 171345703
dimethyl 1-[[3-(4-acetylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]triazole-4,5-dicarboxylate
CID 23548149

Frequently Asked Questions

What is the IUPAC name of (5R)-3-(4-acetylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-(4-acetylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one (CID 15591327) is (5R)-3-(4-acetylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-(4-acetylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-(4-acetylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one is CC(=O)c1ccc(N2C[C@H](CO)OC2=O)cc1.
What is the InChIKey of (5R)-3-(4-acetylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
The InChIKey is ZAEPGMOWWSWNQU-LLVKDONJSA-N. The full InChI is InChI=1S/C12H13NO4/c1-8(15)9-2-4-10(5-3-9)13-6-11(7-14)17-12(13)16/h2-5,11,14H,6-7H2,1H3/t11-/m1/s1.
What are the key properties of (5R)-3-(4-acetylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
(5R)-3-(4-acetylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 235.24 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-(4-acetylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 15591327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).