2-[3-(4-hydroxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]acetic acid

C11H11NO5 — CID 115060005

IUPAC2-[3-(4-hydroxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]acetic acid
SMILESO=C(O)CC1CN(c2ccc(O)cc2)C(=O)O1
InChIInChI=1S/C11H11NO5/c13-8-3-1-7(2-4-8)12-6-9(5-10(14)15)17-11(12)16/h1-4,9,13H,5-6H2,(H,14,15)
InChIKeyCLHAGCXUUCLFBD-UHFFFAOYSA-N
MW237.21 g/mol
LogP1.19
Rot. Bonds3

About 2-[3-(4-hydroxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]acetic acid

2-[3-(4-hydroxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]acetic acid (PubChem CID 115060005) has the molecular formula C11H11NO5 and a molecular weight of 237.21 g/mol. Its IUPAC name is 2-[3-(4-hydroxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(4-hydroxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]acetic acid
PubChem CID115060005
Molecular FormulaC11H11NO5
Molecular Weight237.21 g/mol
Exact Mass237.06
IUPAC Name2-[3-(4-hydroxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]acetic acid
SMILESO=C(O)CC1CN(c2ccc(O)cc2)C(=O)O1
InChIInChI=1S/C11H11NO5/c13-8-3-1-7(2-4-8)12-6-9(5-10(14)15)17-11(12)16/h1-4,9,13H,5-6H2,(H,14,15)
InChIKeyCLHAGCXUUCLFBD-UHFFFAOYSA-N
XLogP1.19
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.21
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-5-(aminomethyl)-3-(4-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 115056869
5-benzyl-3-(4-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 54588510
2-[2-oxo-3-(1H-pyrazol-4-yl)-1,3-oxazolidin-5-yl]acetic acid
CID 82394690
5-hexyl-3-(4-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 22368592
2-[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]acetic acid
CID 115003677
4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]benzoic acid
CID 117063705
3-(4-hydroxyphenyl)-5-methyl-1,3-oxazolidin-2-one
CID 105446773
(5R)-3-(4-hydroxyphenyl)-5-phenyl-1,3-oxazolidin-2-one
CID 54314065
(5R)-3-(4-acetylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 15591327
4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]benzamide
CID 175803957
(5R)-5-(hydroxymethyl)-3-[4-[4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenyl]phenyl]-1,3-oxazolidin-2-one
CID 171345703
5-(fluoromethyl)-3-phenyl-1,3-oxazolidin-2-one
CID 555364

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-hydroxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]acetic acid?
The IUPAC name of 2-[3-(4-hydroxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]acetic acid (CID 115060005) is 2-[3-(4-hydroxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]acetic acid.
What is the SMILES notation for 2-[3-(4-hydroxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]acetic acid?
The canonical SMILES for 2-[3-(4-hydroxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]acetic acid is O=C(O)CC1CN(c2ccc(O)cc2)C(=O)O1.
What is the InChIKey of 2-[3-(4-hydroxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]acetic acid?
The InChIKey is CLHAGCXUUCLFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO5/c13-8-3-1-7(2-4-8)12-6-9(5-10(14)15)17-11(12)16/h1-4,9,13H,5-6H2,(H,14,15).
What are the key properties of 2-[3-(4-hydroxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]acetic acid?
2-[3-(4-hydroxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]acetic acid has a molecular weight of 237.21 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-hydroxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]acetic acid is sourced from PubChem (CID 115060005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).