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

C10H5BrFNO3 — CID 117460495

IUPAC3-(3-bromo-5-fluorophenyl)-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2cc(F)cc(Br)c2)no1
InChIInChI=1S/C10H5BrFNO3/c11-6-1-5(2-7(12)3-6)8-4-9(10(14)15)16-13-8/h1-4H,(H,14,15)
InChIKeyUQAZUFSLCFBXOC-UHFFFAOYSA-N
MW286.06 g/mol
LogP2.94
Rot. Bonds2

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

3-(3-bromo-5-fluorophenyl)-1,2-oxazole-5-carboxylic acid (PubChem CID 117460495) has the molecular formula C10H5BrFNO3 and a molecular weight of 286.06 g/mol. Its IUPAC name is 3-(3-bromo-5-fluorophenyl)-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(3-bromo-5-fluorophenyl)-1,2-oxazole-5-carboxylic acid
PubChem CID117460495
Molecular FormulaC10H5BrFNO3
Molecular Weight286.06 g/mol
Exact Mass284.94
IUPAC Name3-(3-bromo-5-fluorophenyl)-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2cc(F)cc(Br)c2)no1
InChIInChI=1S/C10H5BrFNO3/c11-6-1-5(2-7(12)3-6)8-4-9(10(14)15)16-13-8/h1-4H,(H,14,15)
InChIKeyUQAZUFSLCFBXOC-UHFFFAOYSA-N
XLogP2.94
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.06
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chloro-5-fluorophenyl)-1,2-oxazole-5-carboxylic acid
CID 114453827
3-(3-bromo-4,5-difluorophenyl)-1,2-oxazole-5-carboxylic acid
CID 117488801
3-(3-bromo-5-fluorophenyl)-1,2-oxazol-5-amine
CID 43248459
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-(4-fluoro-2,6-dimethoxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 117421092
3-(3,5-difluoro-2-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117349988
3-(3-bromo-4-hydroxy-5-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 136966298
3-(4-fluoro-3-methoxy-5-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117380389
3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1,2-oxazole-5-carboxylic acid
CID 117416557
3-pyridazin-4-yl-1,2-oxazole-5-carboxylic acid
CID 59438307
3-(5-bromo-2,3-difluoro-6-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 136995105

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-5-fluorophenyl)-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(3-bromo-5-fluorophenyl)-1,2-oxazole-5-carboxylic acid (CID 117460495) is 3-(3-bromo-5-fluorophenyl)-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(3-bromo-5-fluorophenyl)-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(3-bromo-5-fluorophenyl)-1,2-oxazole-5-carboxylic acid is O=C(O)c1cc(-c2cc(F)cc(Br)c2)no1.
What is the InChIKey of 3-(3-bromo-5-fluorophenyl)-1,2-oxazole-5-carboxylic acid?
The InChIKey is UQAZUFSLCFBXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrFNO3/c11-6-1-5(2-7(12)3-6)8-4-9(10(14)15)16-13-8/h1-4H,(H,14,15).
What are the key properties of 3-(3-bromo-5-fluorophenyl)-1,2-oxazole-5-carboxylic acid?
3-(3-bromo-5-fluorophenyl)-1,2-oxazole-5-carboxylic acid has a molecular weight of 286.06 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-5-fluorophenyl)-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 117460495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).