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

C10H6BrNO4 — CID 136931124

IUPAC3-(5-bromo-2-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2cc(Br)ccc2O)no1
InChIInChI=1S/C10H6BrNO4/c11-5-1-2-8(13)6(3-5)7-4-9(10(14)15)16-12-7/h1-4,13H,(H,14,15)
InChIKeySZMSUQIAIIEDPO-UHFFFAOYSA-N
MW284.07 g/mol
LogP2.51
Rot. Bonds2

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

3-(5-bromo-2-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid (PubChem CID 136931124) has the molecular formula C10H6BrNO4 and a molecular weight of 284.07 g/mol. Its IUPAC name is 3-(5-bromo-2-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(5-bromo-2-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid
PubChem CID136931124
Molecular FormulaC10H6BrNO4
Molecular Weight284.07 g/mol
Exact Mass282.95
IUPAC Name3-(5-bromo-2-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2cc(Br)ccc2O)no1
InChIInChI=1S/C10H6BrNO4/c11-5-1-2-8(13)6(3-5)7-4-9(10(14)15)16-12-7/h1-4,13H,(H,14,15)
InChIKeySZMSUQIAIIEDPO-UHFFFAOYSA-N
XLogP2.51
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.07
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 136998648
3-(4-bromo-2-ethylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117476922
3-[4-bromo-2-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 115112648
3-(5-bromo-3-tert-butyl-2-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 136998225
3-(3-chloro-2-fluoro-4-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 136991111
3-(7-hydroxy-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1,2-oxazole-5-carboxylic acid
CID 136931972
3-(2-bromo-3-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117452915
3-(5-bromo-1H-indol-2-yl)-1,2-oxazole-5-carboxylic acid
CID 136985648
3-(4-chloro-2,3-dihydroxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 136991054
3-(3-bromo-2,5-dimethylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117476927
3-(3-bromo-2-methoxy-4-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117496611
3-(3-bromo-5-fluorophenyl)-1,2-oxazole-5-carboxylic acid
CID 117460495

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(5-bromo-2-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid (CID 136931124) is 3-(5-bromo-2-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(5-bromo-2-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(5-bromo-2-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid is O=C(O)c1cc(-c2cc(Br)ccc2O)no1.
What is the InChIKey of 3-(5-bromo-2-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid?
The InChIKey is SZMSUQIAIIEDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrNO4/c11-5-1-2-8(13)6(3-5)7-4-9(10(14)15)16-12-7/h1-4,13H,(H,14,15).
What are the key properties of 3-(5-bromo-2-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid?
3-(5-bromo-2-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid has a molecular weight of 284.07 g/mol, XLogP of 2.51, 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-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 136931124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).