4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]benzoic acid

C11H11NO5 — CID 117063705

IUPAC4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]benzoic acid
SMILESO=C(O)c1ccc(N2CC(CO)OC2=O)cc1
InChIInChI=1S/C11H11NO5/c13-6-9-5-12(11(16)17-9)8-3-1-7(2-4-8)10(14)15/h1-4,9,13H,5-6H2,(H,14,15)
InChIKeyMRTHKWBGQIWEOG-UHFFFAOYSA-N
MW237.21 g/mol
LogP0.70
Rot. Bonds3

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

4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]benzoic acid (PubChem CID 117063705) has the molecular formula C11H11NO5 and a molecular weight of 237.21 g/mol. Its IUPAC name is 4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]benzoic acid.

Molecular Properties

Compound Name4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]benzoic acid
PubChem CID117063705
Molecular FormulaC11H11NO5
Molecular Weight237.21 g/mol
Exact Mass237.06
IUPAC Name4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]benzoic acid
SMILESO=C(O)c1ccc(N2CC(CO)OC2=O)cc1
InChIInChI=1S/C11H11NO5/c13-6-9-5-12(11(16)17-9)8-3-1-7(2-4-8)10(14)15/h1-4,9,13H,5-6H2,(H,14,15)
InChIKeyMRTHKWBGQIWEOG-UHFFFAOYSA-N
XLogP0.70
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 ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(5R)-3-(4-acetylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 15591327
5-(hydroxymethyl)-3-(4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one
CID 22014481
(5R)-5-(hydroxymethyl)-3-pyridin-4-yl-1,3-oxazolidin-2-one
CID 115056906
(5R)-5-(hydroxymethyl)-3-(4-nitrophenyl)-1,3-oxazolidin-2-one
CID 58777713
5-(hydroxymethyl)-3-(4-methylsulfinylphenyl)-1,3-oxazolidin-2-one
CID 13038088
5-(hydroxymethyl)-3-[4-(methoxyamino)phenyl]-1,3-oxazolidin-2-one
CID 143663891
4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]benzamide
CID 175803957
(5R)-5-(hydroxymethyl)-3-(4-phenylmethoxyphenyl)-1,3-oxazolidin-2-one
CID 11109337
(5R)-5-(hydroxymethyl)-3-(4-iodophenyl)-1,3-oxazolidin-2-one;3-phenyl-1,3-oxazolidin-2-one
CID 70208277
3-(4-tert-butylphenyl)-6-(hydroxymethyl)-1,3-oxazinan-2-one
CID 117011629
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

Frequently Asked Questions

What is the IUPAC name of 4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]benzoic acid?
The IUPAC name of 4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]benzoic acid (CID 117063705) is 4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]benzoic acid.
What is the SMILES notation for 4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]benzoic acid?
The canonical SMILES for 4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]benzoic acid is O=C(O)c1ccc(N2CC(CO)OC2=O)cc1.
What is the InChIKey of 4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]benzoic acid?
The InChIKey is MRTHKWBGQIWEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO5/c13-6-9-5-12(11(16)17-9)8-3-1-7(2-4-8)10(14)15/h1-4,9,13H,5-6H2,(H,14,15).
What are the key properties of 4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]benzoic acid?
4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]benzoic acid has a molecular weight of 237.21 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]benzoic acid is sourced from PubChem (CID 117063705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).