2-(2-fluoro-4-methylsulfanylphenyl)-1,3-oxazole-4-carboxylic acid

C11H8FNO3S — CID 144563914

IUPAC2-(2-fluoro-4-methylsulfanylphenyl)-1,3-oxazole-4-carboxylic acid
SMILESCSc1ccc(-c2nc(C(=O)O)co2)c(F)c1
InChIInChI=1S/C11H8FNO3S/c1-17-6-2-3-7(8(12)4-6)10-13-9(5-16-10)11(14)15/h2-5H,1H3,(H,14,15)
InChIKeyWJDKQBZGHQJPCN-UHFFFAOYSA-N
MW253.25 g/mol
LogP2.90
Rot. Bonds3

About 2-(2-fluoro-4-methylsulfanylphenyl)-1,3-oxazole-4-carboxylic acid

2-(2-fluoro-4-methylsulfanylphenyl)-1,3-oxazole-4-carboxylic acid (PubChem CID 144563914) has the molecular formula C11H8FNO3S and a molecular weight of 253.25 g/mol. Its IUPAC name is 2-(2-fluoro-4-methylsulfanylphenyl)-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-fluoro-4-methylsulfanylphenyl)-1,3-oxazole-4-carboxylic acid
PubChem CID144563914
Molecular FormulaC11H8FNO3S
Molecular Weight253.25 g/mol
Exact Mass253.02
IUPAC Name2-(2-fluoro-4-methylsulfanylphenyl)-1,3-oxazole-4-carboxylic acid
SMILESCSc1ccc(-c2nc(C(=O)O)co2)c(F)c1
InChIInChI=1S/C11H8FNO3S/c1-17-6-2-3-7(8(12)4-6)10-13-9(5-16-10)11(14)15/h2-5H,1H3,(H,14,15)
InChIKeyWJDKQBZGHQJPCN-UHFFFAOYSA-N
XLogP2.90
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-fluoro-2-methylphenyl)-1,3-oxazole-4-carboxylic acid
CID 63048806
2-(4,5-difluoro-2-nitrophenyl)-1,3-oxazole-4-carboxylic acid
CID 62235219
2-(2,4-dibromophenyl)-1,3-oxazole-4-carboxylic acid
CID 107940915
ethyl 2-(4-bromo-2-fluorophenyl)-1,3-oxazole-4-carboxylate
CID 142682727
2-(2,4,5-trimethoxyphenyl)-1,3-oxazole-4-carboxylic acid
CID 62234680
2-(4-bromo-2-methoxyphenyl)-1,3-oxazole-4-carboxylic acid
CID 115370044
5-(2-methyl-4-methylsulfanylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117375885
2-(4-methoxy-2,3-dimethylphenyl)-1,3-oxazole-4-carboxylic acid
CID 82479704
2-(2,3,5,6-tetramethylphenyl)-1,3-oxazole-4-carboxylic acid
CID 82478867
benzyl 2-(2-fluoro-4-nitrophenyl)-1,3-oxazole-4-carboxylate
CID 46201431
2-acetyl-1,3-oxazole-4-carboxylic acid
CID 67168521
2-(2-methoxy-3-pyridinyl)-1,3-oxazole-4-carboxylic acid
CID 118224484

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-methylsulfanylphenyl)-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-(2-fluoro-4-methylsulfanylphenyl)-1,3-oxazole-4-carboxylic acid (CID 144563914) is 2-(2-fluoro-4-methylsulfanylphenyl)-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-(2-fluoro-4-methylsulfanylphenyl)-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-(2-fluoro-4-methylsulfanylphenyl)-1,3-oxazole-4-carboxylic acid is CSc1ccc(-c2nc(C(=O)O)co2)c(F)c1.
What is the InChIKey of 2-(2-fluoro-4-methylsulfanylphenyl)-1,3-oxazole-4-carboxylic acid?
The InChIKey is WJDKQBZGHQJPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO3S/c1-17-6-2-3-7(8(12)4-6)10-13-9(5-16-10)11(14)15/h2-5H,1H3,(H,14,15).
What are the key properties of 2-(2-fluoro-4-methylsulfanylphenyl)-1,3-oxazole-4-carboxylic acid?
2-(2-fluoro-4-methylsulfanylphenyl)-1,3-oxazole-4-carboxylic acid has a molecular weight of 253.25 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-methylsulfanylphenyl)-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 144563914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).