4-(4-methyl-2-oxo-1,3-oxazolidin-4-yl)benzoic acid

C11H11NO4 — CID 105477023

IUPAC4-(4-methyl-2-oxo-1,3-oxazolidin-4-yl)benzoic acid
SMILESCC1(c2ccc(C(=O)O)cc2)COC(=O)N1
InChIInChI=1S/C11H11NO4/c1-11(6-16-10(15)12-11)8-4-2-7(3-5-8)9(13)14/h2-5H,6H2,1H3,(H,12,15)(H,13,14)
InChIKeyDNEDVNHHIMVSGE-UHFFFAOYSA-N
MW221.21 g/mol
LogP1.34
Rot. Bonds2

About 4-(4-methyl-2-oxo-1,3-oxazolidin-4-yl)benzoic acid

4-(4-methyl-2-oxo-1,3-oxazolidin-4-yl)benzoic acid (PubChem CID 105477023) has the molecular formula C11H11NO4 and a molecular weight of 221.21 g/mol. Its IUPAC name is 4-(4-methyl-2-oxo-1,3-oxazolidin-4-yl)benzoic acid.

Molecular Properties

Compound Name4-(4-methyl-2-oxo-1,3-oxazolidin-4-yl)benzoic acid
PubChem CID105477023
Molecular FormulaC11H11NO4
Molecular Weight221.21 g/mol
Exact Mass221.07
IUPAC Name4-(4-methyl-2-oxo-1,3-oxazolidin-4-yl)benzoic acid
SMILESCC1(c2ccc(C(=O)O)cc2)COC(=O)N1
InChIInChI=1S/C11H11NO4/c1-11(6-16-10(15)12-11)8-4-2-7(3-5-8)9(13)14/h2-5H,6H2,1H3,(H,12,15)(H,13,14)
InChIKeyDNEDVNHHIMVSGE-UHFFFAOYSA-N
XLogP1.34
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(aminomethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one
CID 105458788
4-(2-tert-butyl-5,5-dimethyl-1,3-dioxan-2-yl)benzoic acid
CID 10779992
(4S)-4-(2-chlorophenyl)-4-methyl-1,3-oxazolidin-2-one
CID 95866457
4-(3-tert-butyloxetan-3-yl)benzoic acid
CID 116872238
4-[(4R)-5,5-difluoro-2-oxo-1,3-oxazinan-4-yl]benzoic acid;hydrochloride
CID 171187582
4-[(4S)-5,5-difluoro-2-oxo-1,3-oxazinan-4-yl]benzoic acid;hydrochloride
CID 171186105
(4R)-4-[6-[[(1S,4R)-2-bicyclo[2.2.1]heptanyl]oxy]naphthalen-2-yl]-4-methyl-1,3-oxazolidin-2-one
CID 67530990
terephthalic acid
CID 160582437
(4R)-4-methyl-4-[6-(4-propylcyclohexyl)oxynaphthalen-2-yl]-1,3-oxazolidin-2-one
CID 67413959
bis(2,2-dimethyl-1,3-oxazolidine);terephthalic acid
CID 70489964
ethane-1,1-diol;terephthalic acid
CID 68971815
3-methyl-3-phenyl-2H-1-benzofuran-5-carboxylic acid
CID 138523708

Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-2-oxo-1,3-oxazolidin-4-yl)benzoic acid?
The IUPAC name of 4-(4-methyl-2-oxo-1,3-oxazolidin-4-yl)benzoic acid (CID 105477023) is 4-(4-methyl-2-oxo-1,3-oxazolidin-4-yl)benzoic acid.
What is the SMILES notation for 4-(4-methyl-2-oxo-1,3-oxazolidin-4-yl)benzoic acid?
The canonical SMILES for 4-(4-methyl-2-oxo-1,3-oxazolidin-4-yl)benzoic acid is CC1(c2ccc(C(=O)O)cc2)COC(=O)N1.
What is the InChIKey of 4-(4-methyl-2-oxo-1,3-oxazolidin-4-yl)benzoic acid?
The InChIKey is DNEDVNHHIMVSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO4/c1-11(6-16-10(15)12-11)8-4-2-7(3-5-8)9(13)14/h2-5H,6H2,1H3,(H,12,15)(H,13,14).
What are the key properties of 4-(4-methyl-2-oxo-1,3-oxazolidin-4-yl)benzoic acid?
4-(4-methyl-2-oxo-1,3-oxazolidin-4-yl)benzoic acid has a molecular weight of 221.21 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-2-oxo-1,3-oxazolidin-4-yl)benzoic acid is sourced from PubChem (CID 105477023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).