3-(5-bromo-2,3-difluoro-6-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid

C10H4BrF2NO4 — CID 136995105

IUPAC3-(5-bromo-2,3-difluoro-6-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2c(O)c(Br)cc(F)c2F)no1
InChIInChI=1S/C10H4BrF2NO4/c11-3-1-4(12)8(13)7(9(3)15)5-2-6(10(16)17)18-14-5/h1-2,15H,(H,16,17)
InChIKeyOUGMLZSWXULXSH-UHFFFAOYSA-N
MW320.05 g/mol
LogP2.79
Rot. Bonds2

About 3-(5-bromo-2,3-difluoro-6-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid

3-(5-bromo-2,3-difluoro-6-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid (PubChem CID 136995105) has the molecular formula C10H4BrF2NO4 and a molecular weight of 320.05 g/mol. Its IUPAC name is 3-(5-bromo-2,3-difluoro-6-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(5-bromo-2,3-difluoro-6-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid
PubChem CID136995105
Molecular FormulaC10H4BrF2NO4
Molecular Weight320.05 g/mol
Exact Mass318.93
IUPAC Name3-(5-bromo-2,3-difluoro-6-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2c(O)c(Br)cc(F)c2F)no1
InChIInChI=1S/C10H4BrF2NO4/c11-3-1-4(12)8(13)7(9(3)15)5-2-6(10(16)17)18-14-5/h1-2,15H,(H,16,17)
InChIKeyOUGMLZSWXULXSH-UHFFFAOYSA-N
XLogP2.79
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.05
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

3-(2,3,5-trifluoro-6-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 136963362
3-(3-bromo-6-fluoro-2-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 136966422
3-(3-bromo-4,5-difluorophenyl)-1,2-oxazole-5-carboxylic acid
CID 117488801
3-(3-chloro-2-fluoro-5,6-dihydroxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 136932487
3-(2-bromo-4-chloro-3,5,6-trifluorophenyl)-1,2-oxazole-5-carboxylic acid
CID 115112665
3-(3,4-difluoro-5-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117349979
3-(3-bromo-4-hydroxy-5-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 136966298
3-(3,4-difluorophenyl)-1,2-oxazole-5-carboxylic acid
CID 29078560
3-(3-bromo-5-fluorophenyl)-1,2-oxazole-5-carboxylic acid
CID 117460495
3-(5-chloro-2,3-difluoro-4-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 136931933
3-(3-chloro-5-fluorophenyl)-1,2-oxazole-5-carboxylic acid
CID 114453827
3-(2-bromo-3-fluoro-5-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117482846

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2,3-difluoro-6-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(5-bromo-2,3-difluoro-6-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid (CID 136995105) is 3-(5-bromo-2,3-difluoro-6-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(5-bromo-2,3-difluoro-6-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(5-bromo-2,3-difluoro-6-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid is O=C(O)c1cc(-c2c(O)c(Br)cc(F)c2F)no1.
What is the InChIKey of 3-(5-bromo-2,3-difluoro-6-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid?
The InChIKey is OUGMLZSWXULXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4BrF2NO4/c11-3-1-4(12)8(13)7(9(3)15)5-2-6(10(16)17)18-14-5/h1-2,15H,(H,16,17).
What are the key properties of 3-(5-bromo-2,3-difluoro-6-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid?
3-(5-bromo-2,3-difluoro-6-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid has a molecular weight of 320.05 g/mol, XLogP of 2.79, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2,3-difluoro-6-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 136995105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).