5-(4-bromo-2,3,5,6-tetrafluorophenyl)-1,2-oxazole-3-carboxylic acid

C10H2BrF4NO3 — CID 115111261

IUPAC5-(4-bromo-2,3,5,6-tetrafluorophenyl)-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2c(F)c(F)c(Br)c(F)c2F)on1
InChIInChI=1S/C10H2BrF4NO3/c11-5-8(14)6(12)4(7(13)9(5)15)3-1-2(10(17)18)16-19-3/h1H,(H,17,18)
InChIKeyWPWCDYYTFDINBW-UHFFFAOYSA-N
MW340.03 g/mol
LogP3.36
Rot. Bonds2

About 5-(4-bromo-2,3,5,6-tetrafluorophenyl)-1,2-oxazole-3-carboxylic acid

5-(4-bromo-2,3,5,6-tetrafluorophenyl)-1,2-oxazole-3-carboxylic acid (PubChem CID 115111261) has the molecular formula C10H2BrF4NO3 and a molecular weight of 340.03 g/mol. Its IUPAC name is 5-(4-bromo-2,3,5,6-tetrafluorophenyl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(4-bromo-2,3,5,6-tetrafluorophenyl)-1,2-oxazole-3-carboxylic acid
PubChem CID115111261
Molecular FormulaC10H2BrF4NO3
Molecular Weight340.03 g/mol
Exact Mass338.92
IUPAC Name5-(4-bromo-2,3,5,6-tetrafluorophenyl)-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2c(F)c(F)c(Br)c(F)c2F)on1
InChIInChI=1S/C10H2BrF4NO3/c11-5-8(14)6(12)4(7(13)9(5)15)3-1-2(10(17)18)16-19-3/h1H,(H,17,18)
InChIKeyWPWCDYYTFDINBW-UHFFFAOYSA-N
XLogP3.36
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.03
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

5-(2-bromo-6-fluoro-3,4-dihydroxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 136995079
5-(4-bromo-3,5-difluorophenyl)-1,2-oxazole-3-carboxylic acid
CID 117488817
5-(3-chloro-2,5,6-trifluorophenyl)-1,2-oxazole-3-carboxylic acid
CID 117445060
5-(2,6-difluoro-3-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117350000
5-(3-chloro-2,6-difluoro-5-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117436840
5-(3-chloro-2-fluoro-6-hydroxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 136991116
5-(3-bromo-2-fluoro-5-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117482852
5-(5-fluorothiophen-2-yl)-1,2-oxazole-3-carboxylic acid
CID 146447163
5-(4-bromo-2,3,5,6-tetrafluorophenyl)-1-methylpyrazole-3-carboxylic acid
CID 115111513
5-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)-1,2-oxazole-3-carboxylic acid
CID 115111205
5-(5-bromo-4-fluoro-2-hydroxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 136966435
5-(2,3,4-trifluorophenyl)-1,2-oxazole-3-carboxylic acid
CID 83810758

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-2,3,5,6-tetrafluorophenyl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(4-bromo-2,3,5,6-tetrafluorophenyl)-1,2-oxazole-3-carboxylic acid (CID 115111261) is 5-(4-bromo-2,3,5,6-tetrafluorophenyl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(4-bromo-2,3,5,6-tetrafluorophenyl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(4-bromo-2,3,5,6-tetrafluorophenyl)-1,2-oxazole-3-carboxylic acid is O=C(O)c1cc(-c2c(F)c(F)c(Br)c(F)c2F)on1.
What is the InChIKey of 5-(4-bromo-2,3,5,6-tetrafluorophenyl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is WPWCDYYTFDINBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H2BrF4NO3/c11-5-8(14)6(12)4(7(13)9(5)15)3-1-2(10(17)18)16-19-3/h1H,(H,17,18).
What are the key properties of 5-(4-bromo-2,3,5,6-tetrafluorophenyl)-1,2-oxazole-3-carboxylic acid?
5-(4-bromo-2,3,5,6-tetrafluorophenyl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 340.03 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-2,3,5,6-tetrafluorophenyl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 115111261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).