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

C11H8BrNO4 — CID 115370044

IUPAC2-(4-bromo-2-methoxyphenyl)-1,3-oxazole-4-carboxylic acid
SMILESCOc1cc(Br)ccc1-c1nc(C(=O)O)co1
InChIInChI=1S/C11H8BrNO4/c1-16-9-4-6(12)2-3-7(9)10-13-8(5-17-10)11(14)15/h2-5H,1H3,(H,14,15)
InChIKeyJEVADMMEJJODDC-UHFFFAOYSA-N
MW298.09 g/mol
LogP2.81
Rot. Bonds3

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

2-(4-bromo-2-methoxyphenyl)-1,3-oxazole-4-carboxylic acid (PubChem CID 115370044) has the molecular formula C11H8BrNO4 and a molecular weight of 298.09 g/mol. Its IUPAC name is 2-(4-bromo-2-methoxyphenyl)-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-bromo-2-methoxyphenyl)-1,3-oxazole-4-carboxylic acid
PubChem CID115370044
Molecular FormulaC11H8BrNO4
Molecular Weight298.09 g/mol
Exact Mass296.96
IUPAC Name2-(4-bromo-2-methoxyphenyl)-1,3-oxazole-4-carboxylic acid
SMILESCOc1cc(Br)ccc1-c1nc(C(=O)O)co1
InChIInChI=1S/C11H8BrNO4/c1-16-9-4-6(12)2-3-7(9)10-13-8(5-17-10)11(14)15/h2-5H,1H3,(H,14,15)
InChIKeyJEVADMMEJJODDC-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

2-(2,4,5-trimethoxyphenyl)-1,3-oxazole-4-carboxylic acid
CID 62234680
2-(2,4-dibromophenyl)-1,3-oxazole-4-carboxylic acid
CID 107940915
2-(4-methoxy-2,3-dimethylphenyl)-1,3-oxazole-4-carboxylic acid
CID 82479704
5-(4-bromo-2-methoxyphenyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 115370000
2-(4-bromo-2-methoxyphenyl)-4-ethyl-1,3-oxazole-5-carboxylic acid
CID 104842557
2-(4-bromo-2-methoxyphenyl)-1,3-benzoxazole-7-carboxylic acid
CID 115370381
2-(2-methoxy-4,6-dimethylphenyl)-1,3-oxazole-4-carboxylic acid
CID 82479713
3-(4-bromo-2-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 117478380
2-(2-methoxy-3-pyridinyl)-1,3-oxazole-4-carboxylic acid
CID 118224484
(E)-3-[5-(4-bromo-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]prop-2-enoic acid
CID 113296120
ethyl 2-(4-bromo-2-fluorophenyl)-1,3-oxazole-4-carboxylate
CID 142682727
ethyl 5-(4-bromo-2-methoxyphenyl)-1,2,4-oxadiazole-3-carboxylate
CID 115369999

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methoxyphenyl)-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-(4-bromo-2-methoxyphenyl)-1,3-oxazole-4-carboxylic acid (CID 115370044) is 2-(4-bromo-2-methoxyphenyl)-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-(4-bromo-2-methoxyphenyl)-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-(4-bromo-2-methoxyphenyl)-1,3-oxazole-4-carboxylic acid is COc1cc(Br)ccc1-c1nc(C(=O)O)co1.
What is the InChIKey of 2-(4-bromo-2-methoxyphenyl)-1,3-oxazole-4-carboxylic acid?
The InChIKey is JEVADMMEJJODDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrNO4/c1-16-9-4-6(12)2-3-7(9)10-13-8(5-17-10)11(14)15/h2-5H,1H3,(H,14,15).
What are the key properties of 2-(4-bromo-2-methoxyphenyl)-1,3-oxazole-4-carboxylic acid?
2-(4-bromo-2-methoxyphenyl)-1,3-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 2-(4-bromo-2-methoxyphenyl)-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 115370044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).