2-(2-methyl-5-oxo-1,2-oxazol-3-yl)benzoic acid

C11H9NO4 — CID 84724427

IUPAC2-(2-methyl-5-oxo-1,2-oxazol-3-yl)benzoic acid
SMILESCn1oc(=O)cc1-c1ccccc1C(=O)O
InChIInChI=1S/C11H9NO4/c1-12-9(6-10(13)16-12)7-4-2-3-5-8(7)11(14)15/h2-6H,1H3,(H,14,15)
InChIKeyHUWJGDNYUKNNMF-UHFFFAOYSA-N
MW219.20 g/mol
LogP1.34
Rot. Bonds2

About 2-(2-methyl-5-oxo-1,2-oxazol-3-yl)benzoic acid

2-(2-methyl-5-oxo-1,2-oxazol-3-yl)benzoic acid (PubChem CID 84724427) has the molecular formula C11H9NO4 and a molecular weight of 219.20 g/mol. Its IUPAC name is 2-(2-methyl-5-oxo-1,2-oxazol-3-yl)benzoic acid.

Molecular Properties

Compound Name2-(2-methyl-5-oxo-1,2-oxazol-3-yl)benzoic acid
PubChem CID84724427
Molecular FormulaC11H9NO4
Molecular Weight219.20 g/mol
Exact Mass219.05
IUPAC Name2-(2-methyl-5-oxo-1,2-oxazol-3-yl)benzoic acid
SMILESCn1oc(=O)cc1-c1ccccc1C(=O)O
InChIInChI=1S/C11H9NO4/c1-12-9(6-10(13)16-12)7-4-2-3-5-8(7)11(14)15/h2-6H,1H3,(H,14,15)
InChIKeyHUWJGDNYUKNNMF-UHFFFAOYSA-N
XLogP1.34
TPSA72.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-carboxyphenyl)benzoic acid;cobalt
CID 159898458
1-methylcyclopenta[b]pyridine-5-carboxylic acid
CID 122374341
2-[3,5-bis(2-carboxyphenyl)phenyl]benzoic acid
CID 21428532
2,5-bis(2-carboxyphenyl)terephthalic acid
CID 15619214
2-(6-chloro-1-methyl-4-oxoquinolin-3-yl)benzoic acid
CID 1485807
2-(1-methyl-6-oxo-4-thiophen-2-yl-2-pyridinyl)benzoic acid
CID 11358841
anthracene-9,10-dione;phthalic acid
CID 158904853
2-(2-carboxyphenyl)-5-chlorobenzoic acid;dihydrochloride
CID 67933497
benzene-1,2,4,5-tetracarboxylic acid;phthalic acid
CID 174433443
2-[5-(2,4,5-trimethylphenyl)-1,3-oxazol-2-yl]benzoic acid
CID 86246067
2-(2-carboxyphenyl)benzene-1,3-dicarboxylic acid
CID 101121393
2-[2-(2-methylpropanoyl)phenyl]benzoic acid
CID 21063785

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-5-oxo-1,2-oxazol-3-yl)benzoic acid?
The IUPAC name of 2-(2-methyl-5-oxo-1,2-oxazol-3-yl)benzoic acid (CID 84724427) is 2-(2-methyl-5-oxo-1,2-oxazol-3-yl)benzoic acid.
What is the SMILES notation for 2-(2-methyl-5-oxo-1,2-oxazol-3-yl)benzoic acid?
The canonical SMILES for 2-(2-methyl-5-oxo-1,2-oxazol-3-yl)benzoic acid is Cn1oc(=O)cc1-c1ccccc1C(=O)O.
What is the InChIKey of 2-(2-methyl-5-oxo-1,2-oxazol-3-yl)benzoic acid?
The InChIKey is HUWJGDNYUKNNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO4/c1-12-9(6-10(13)16-12)7-4-2-3-5-8(7)11(14)15/h2-6H,1H3,(H,14,15).
What are the key properties of 2-(2-methyl-5-oxo-1,2-oxazol-3-yl)benzoic acid?
2-(2-methyl-5-oxo-1,2-oxazol-3-yl)benzoic acid has a molecular weight of 219.20 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-5-oxo-1,2-oxazol-3-yl)benzoic acid is sourced from PubChem (CID 84724427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).