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

C11H8BrNO4 — CID 82308210

IUPAC5-(5-bromo-2-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
SMILESCOc1ccc(Br)cc1-c1oncc1C(=O)O
InChIInChI=1S/C11H8BrNO4/c1-16-9-3-2-6(12)4-7(9)10-8(11(14)15)5-13-17-10/h2-5H,1H3,(H,14,15)
InChIKeyAHJMZEKZCXVDDF-UHFFFAOYSA-N
MW298.09 g/mol
LogP2.81
Rot. Bonds3

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

5-(5-bromo-2-methoxyphenyl)-1,2-oxazole-4-carboxylic acid (PubChem CID 82308210) has the molecular formula C11H8BrNO4 and a molecular weight of 298.09 g/mol. Its IUPAC name is 5-(5-bromo-2-methoxyphenyl)-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(5-bromo-2-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
PubChem CID82308210
Molecular FormulaC11H8BrNO4
Molecular Weight298.09 g/mol
Exact Mass296.96
IUPAC Name5-(5-bromo-2-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
SMILESCOc1ccc(Br)cc1-c1oncc1C(=O)O
InChIInChI=1S/C11H8BrNO4/c1-16-9-3-2-6(12)4-7(9)10-8(11(14)15)5-13-17-10/h2-5H,1H3,(H,14,15)
InChIKeyAHJMZEKZCXVDDF-UHFFFAOYSA-N
XLogP2.81
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.09
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(5-fluoro-2-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 82291793
5-(3-chloro-4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 82298585
2-[5-(5-bromo-2-methoxyphenyl)-1,2-oxazol-4-yl]ethanamine
CID 82308142
5-(3-ethyl-4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 82295690
5-(6-bromo-1H-indol-3-yl)-1,2-oxazole-4-carboxylic acid
CID 136986221
5-bromo-2-(2,5-dibromo-4-methoxyphenoxy)benzoic acid
CID 114896173
6-(5-bromo-2-methoxyphenyl)pyridine-2-carboxylic acid
CID 24730144
1-[5-(2,4-dimethoxy-3-methylphenyl)-1,2-oxazol-4-yl]ethanone
CID 82302163
5-(4-methyl-3-pyridinyl)-1,2-oxazole-4-carboxylic acid
CID 131572455
5-methoxy-1,2-benzoxazole-7-carboxylic acid
CID 117109911
5-(5-bromo-2-methoxyphenyl)-1-methylpyrrole-2-carboxylic acid
CID 82095064
5-(4-bromo-2-methoxyphenyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 115370000

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-2-methoxyphenyl)-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-(5-bromo-2-methoxyphenyl)-1,2-oxazole-4-carboxylic acid (CID 82308210) is 5-(5-bromo-2-methoxyphenyl)-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-(5-bromo-2-methoxyphenyl)-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-(5-bromo-2-methoxyphenyl)-1,2-oxazole-4-carboxylic acid is COc1ccc(Br)cc1-c1oncc1C(=O)O.
What is the InChIKey of 5-(5-bromo-2-methoxyphenyl)-1,2-oxazole-4-carboxylic acid?
The InChIKey is AHJMZEKZCXVDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrNO4/c1-16-9-3-2-6(12)4-7(9)10-8(11(14)15)5-13-17-10/h2-5H,1H3,(H,14,15).
What are the key properties of 5-(5-bromo-2-methoxyphenyl)-1,2-oxazole-4-carboxylic acid?
5-(5-bromo-2-methoxyphenyl)-1,2-oxazole-4-carboxylic acid has a molecular weight of 298.09 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-2-methoxyphenyl)-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 82308210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).