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

C10H5BrFNO4 — CID 136966435

IUPAC5-(5-bromo-4-fluoro-2-hydroxyphenyl)-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2cc(Br)c(F)cc2O)on1
InChIInChI=1S/C10H5BrFNO4/c11-5-1-4(8(14)2-6(5)12)9-3-7(10(15)16)13-17-9/h1-3,14H,(H,15,16)
InChIKeyPAYCVUHBFRHUEN-UHFFFAOYSA-N
MW302.06 g/mol
LogP2.65
Rot. Bonds2

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

5-(5-bromo-4-fluoro-2-hydroxyphenyl)-1,2-oxazole-3-carboxylic acid (PubChem CID 136966435) has the molecular formula C10H5BrFNO4 and a molecular weight of 302.06 g/mol. Its IUPAC name is 5-(5-bromo-4-fluoro-2-hydroxyphenyl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(5-bromo-4-fluoro-2-hydroxyphenyl)-1,2-oxazole-3-carboxylic acid
PubChem CID136966435
Molecular FormulaC10H5BrFNO4
Molecular Weight302.06 g/mol
Exact Mass300.94
IUPAC Name5-(5-bromo-4-fluoro-2-hydroxyphenyl)-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2cc(Br)c(F)cc2O)on1
InChIInChI=1S/C10H5BrFNO4/c11-5-1-4(8(14)2-6(5)12)9-3-7(10(15)16)13-17-9/h1-3,14H,(H,15,16)
InChIKeyPAYCVUHBFRHUEN-UHFFFAOYSA-N
XLogP2.65
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.06
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-bromo-2-hydroxy-5-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 136928752
5-(2-bromo-6-fluoro-3,4-dihydroxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 136995079
5-[5-bromo-4-hydroxy-2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 136998286
5-(4-bromo-2,3-dihydroxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 136966377
5-(2-bromo-4-chlorophenyl)-1,2-oxazole-3-carboxylic acid
CID 117487454
5-(2,3,4-trifluorophenyl)-1,2-oxazole-3-carboxylic acid
CID 83810758
5-(3-bromo-2-fluoro-5-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117482852
5-(4-bromo-3,5-difluorophenyl)-1,2-oxazole-3-carboxylic acid
CID 117488817
5-(3-fluoro-4-pyridinyl)-1,2-oxazole-3-carboxylic acid
CID 131555755
5-(3-fluoro-2-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117315177
5-(5-cyano-2,4-dihydroxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 137011543
5-(4,5-dihydroxy-2,3-dimethylphenyl)-1,2-oxazole-3-carboxylic acid
CID 136998049

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-4-fluoro-2-hydroxyphenyl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(5-bromo-4-fluoro-2-hydroxyphenyl)-1,2-oxazole-3-carboxylic acid (CID 136966435) is 5-(5-bromo-4-fluoro-2-hydroxyphenyl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(5-bromo-4-fluoro-2-hydroxyphenyl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(5-bromo-4-fluoro-2-hydroxyphenyl)-1,2-oxazole-3-carboxylic acid is O=C(O)c1cc(-c2cc(Br)c(F)cc2O)on1.
What is the InChIKey of 5-(5-bromo-4-fluoro-2-hydroxyphenyl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is PAYCVUHBFRHUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrFNO4/c11-5-1-4(8(14)2-6(5)12)9-3-7(10(15)16)13-17-9/h1-3,14H,(H,15,16).
What are the key properties of 5-(5-bromo-4-fluoro-2-hydroxyphenyl)-1,2-oxazole-3-carboxylic acid?
5-(5-bromo-4-fluoro-2-hydroxyphenyl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 302.06 g/mol, XLogP of 2.65, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-4-fluoro-2-hydroxyphenyl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 136966435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).