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

C10H4BrF2NO3 — CID 117488817

IUPAC5-(4-bromo-3,5-difluorophenyl)-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2cc(F)c(Br)c(F)c2)on1
InChIInChI=1S/C10H4BrF2NO3/c11-9-5(12)1-4(2-6(9)13)8-3-7(10(15)16)14-17-8/h1-3H,(H,15,16)
InChIKeyGTGKRXUUNHPGQP-UHFFFAOYSA-N
MW304.05 g/mol
LogP3.08
Rot. Bonds2

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

5-(4-bromo-3,5-difluorophenyl)-1,2-oxazole-3-carboxylic acid (PubChem CID 117488817) has the molecular formula C10H4BrF2NO3 and a molecular weight of 304.05 g/mol. Its IUPAC name is 5-(4-bromo-3,5-difluorophenyl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(4-bromo-3,5-difluorophenyl)-1,2-oxazole-3-carboxylic acid
PubChem CID117488817
Molecular FormulaC10H4BrF2NO3
Molecular Weight304.05 g/mol
Exact Mass302.93
IUPAC Name5-(4-bromo-3,5-difluorophenyl)-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2cc(F)c(Br)c(F)c2)on1
InChIInChI=1S/C10H4BrF2NO3/c11-9-5(12)1-4(2-6(9)13)8-3-7(10(15)16)14-17-8/h1-3H,(H,15,16)
InChIKeyGTGKRXUUNHPGQP-UHFFFAOYSA-N
XLogP3.08
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.05
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(3,5-difluoro-4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117390409
5-(3-carboxy-5-fluoro-4-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117416540
5-(4-bromo-2,3,5,6-tetrafluorophenyl)-1,2-oxazole-3-carboxylic acid
CID 115111261
5-(2-bromo-6-fluoro-3,4-dihydroxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 136995079
5-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1,2-oxazole-3-carboxylic acid
CID 117416543
5-(3-fluoro-5-hydroxy-4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117385107
5-[4-(difluoromethyl)-3-fluoro-5-methylphenyl]-1,2-oxazole-3-carboxylic acid
CID 117430484
5-(4-chlorophenyl)-1,2-oxazole-3-carboxylic acid
CID 1133644
5-(2,3,4-trifluorophenyl)-1,2-oxazole-3-carboxylic acid
CID 83810758
5-(5-bromo-4-fluoro-2-hydroxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 136966435
5-(3-bromo-4-hydroxy-5-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 136966306
5-[4-fluoro-3-(hydroxymethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117345950

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-3,5-difluorophenyl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(4-bromo-3,5-difluorophenyl)-1,2-oxazole-3-carboxylic acid (CID 117488817) is 5-(4-bromo-3,5-difluorophenyl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(4-bromo-3,5-difluorophenyl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(4-bromo-3,5-difluorophenyl)-1,2-oxazole-3-carboxylic acid is O=C(O)c1cc(-c2cc(F)c(Br)c(F)c2)on1.
What is the InChIKey of 5-(4-bromo-3,5-difluorophenyl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is GTGKRXUUNHPGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4BrF2NO3/c11-9-5(12)1-4(2-6(9)13)8-3-7(10(15)16)14-17-8/h1-3H,(H,15,16).
What are the key properties of 5-(4-bromo-3,5-difluorophenyl)-1,2-oxazole-3-carboxylic acid?
5-(4-bromo-3,5-difluorophenyl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 304.05 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-3,5-difluorophenyl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 117488817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).