5-(2,3-difluoro-5-methylphenyl)-1,2-oxazole-3-carboxylic acid

C11H7F2NO3 — CID 117349990

IUPAC5-(2,3-difluoro-5-methylphenyl)-1,2-oxazole-3-carboxylic acid
SMILESCc1cc(F)c(F)c(-c2cc(C(=O)O)no2)c1
InChIInChI=1S/C11H7F2NO3/c1-5-2-6(10(13)7(12)3-5)9-4-8(11(15)16)14-17-9/h2-4H,1H3,(H,15,16)
InChIKeyWHXYSTZDMILCQA-UHFFFAOYSA-N
MW239.18 g/mol
LogP2.63
Rot. Bonds2

About 5-(2,3-difluoro-5-methylphenyl)-1,2-oxazole-3-carboxylic acid

5-(2,3-difluoro-5-methylphenyl)-1,2-oxazole-3-carboxylic acid (PubChem CID 117349990) has the molecular formula C11H7F2NO3 and a molecular weight of 239.18 g/mol. Its IUPAC name is 5-(2,3-difluoro-5-methylphenyl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(2,3-difluoro-5-methylphenyl)-1,2-oxazole-3-carboxylic acid
PubChem CID117349990
Molecular FormulaC11H7F2NO3
Molecular Weight239.18 g/mol
Exact Mass239.04
IUPAC Name5-(2,3-difluoro-5-methylphenyl)-1,2-oxazole-3-carboxylic acid
SMILESCc1cc(F)c(F)c(-c2cc(C(=O)O)no2)c1
InChIInChI=1S/C11H7F2NO3/c1-5-2-6(10(13)7(12)3-5)9-4-8(11(15)16)14-17-9/h2-4H,1H3,(H,15,16)
InChIKeyWHXYSTZDMILCQA-UHFFFAOYSA-N
XLogP2.63
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.18
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-bromo-2-fluoro-5-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117482852
5-(2,3,4-trifluorophenyl)-1,2-oxazole-3-carboxylic acid
CID 83810758
5-(3-fluoro-2-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117315177
5-(4-chloro-2-fluoro-3-hydroxy-5-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117431805
5-(2,6-difluoro-3-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117350000
5-(2-chloro-3-fluoro-4-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117391990
5-(2-methoxy-3,5-dimethylphenyl)-1,2-oxazole-3-carboxylic acid
CID 82295702
5-(2-fluoro-4-hydroxy-3-methoxy-5-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 136991948
5-(4-fluoro-2-methyl-5-propan-2-ylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117412139
5-(5-ethyl-2,4-difluorophenyl)-1,2-oxazole-3-carboxylic acid
CID 117385140
5-(4-methyl-2-methylsulfanylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117375884
5-(2-chloro-3-methoxy-5-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117422559

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-difluoro-5-methylphenyl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(2,3-difluoro-5-methylphenyl)-1,2-oxazole-3-carboxylic acid (CID 117349990) is 5-(2,3-difluoro-5-methylphenyl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(2,3-difluoro-5-methylphenyl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(2,3-difluoro-5-methylphenyl)-1,2-oxazole-3-carboxylic acid is Cc1cc(F)c(F)c(-c2cc(C(=O)O)no2)c1.
What is the InChIKey of 5-(2,3-difluoro-5-methylphenyl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is WHXYSTZDMILCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F2NO3/c1-5-2-6(10(13)7(12)3-5)9-4-8(11(15)16)14-17-9/h2-4H,1H3,(H,15,16).
What are the key properties of 5-(2,3-difluoro-5-methylphenyl)-1,2-oxazole-3-carboxylic acid?
5-(2,3-difluoro-5-methylphenyl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 239.18 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-difluoro-5-methylphenyl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 117349990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).