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

C11H7BrFNO3 — CID 117482846

IUPAC3-(2-bromo-3-fluoro-5-methylphenyl)-1,2-oxazole-5-carboxylic acid
SMILESCc1cc(F)c(Br)c(-c2cc(C(=O)O)on2)c1
InChIInChI=1S/C11H7BrFNO3/c1-5-2-6(10(12)7(13)3-5)8-4-9(11(15)16)17-14-8/h2-4H,1H3,(H,15,16)
InChIKeyWFYJWLUDTRZBJK-UHFFFAOYSA-N
MW300.08 g/mol
LogP3.25
Rot. Bonds2

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

3-(2-bromo-3-fluoro-5-methylphenyl)-1,2-oxazole-5-carboxylic acid (PubChem CID 117482846) has the molecular formula C11H7BrFNO3 and a molecular weight of 300.08 g/mol. Its IUPAC name is 3-(2-bromo-3-fluoro-5-methylphenyl)-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(2-bromo-3-fluoro-5-methylphenyl)-1,2-oxazole-5-carboxylic acid
PubChem CID117482846
Molecular FormulaC11H7BrFNO3
Molecular Weight300.08 g/mol
Exact Mass298.96
IUPAC Name3-(2-bromo-3-fluoro-5-methylphenyl)-1,2-oxazole-5-carboxylic acid
SMILESCc1cc(F)c(Br)c(-c2cc(C(=O)O)on2)c1
InChIInChI=1S/C11H7BrFNO3/c1-5-2-6(10(12)7(13)3-5)8-4-9(11(15)16)17-14-8/h2-4H,1H3,(H,15,16)
InChIKeyWFYJWLUDTRZBJK-UHFFFAOYSA-N
XLogP3.25
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.08
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-bromo-2,5-dimethylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117476927
3-(2-fluoro-3-hydroxy-5-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117345979
3-(3,5-difluoro-2-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117349988
3-(2-bromo-3-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117452915
3-(3-bromo-6-fluoro-2-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 136966422
3-(3,4-difluorophenyl)-1,2-oxazole-5-carboxylic acid
CID 29078560
3-(3,4-difluoro-5-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117349979
3-(2-fluoro-5-methoxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 83810753
3-(2,3-dimethoxy-5-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117411970
3-(2-fluoro-4-methyl-5-methylsulfanylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117421259
3-(3-bromo-2-methoxy-4-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117496611
3-(2-fluoro-4-methyl-5-methylsulfonylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117482134

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-3-fluoro-5-methylphenyl)-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(2-bromo-3-fluoro-5-methylphenyl)-1,2-oxazole-5-carboxylic acid (CID 117482846) is 3-(2-bromo-3-fluoro-5-methylphenyl)-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(2-bromo-3-fluoro-5-methylphenyl)-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(2-bromo-3-fluoro-5-methylphenyl)-1,2-oxazole-5-carboxylic acid is Cc1cc(F)c(Br)c(-c2cc(C(=O)O)on2)c1.
What is the InChIKey of 3-(2-bromo-3-fluoro-5-methylphenyl)-1,2-oxazole-5-carboxylic acid?
The InChIKey is WFYJWLUDTRZBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrFNO3/c1-5-2-6(10(12)7(13)3-5)8-4-9(11(15)16)17-14-8/h2-4H,1H3,(H,15,16).
What are the key properties of 3-(2-bromo-3-fluoro-5-methylphenyl)-1,2-oxazole-5-carboxylic acid?
3-(2-bromo-3-fluoro-5-methylphenyl)-1,2-oxazole-5-carboxylic acid has a molecular weight of 300.08 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-3-fluoro-5-methylphenyl)-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 117482846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).