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

C11H8BrNO4 — CID 102158832

IUPAC4-bromo-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
SMILESCOc1cccc(-c2onc(C(=O)O)c2Br)c1
InChIInChI=1S/C11H8BrNO4/c1-16-7-4-2-3-6(5-7)10-8(12)9(11(14)15)13-17-10/h2-5H,1H3,(H,14,15)
InChIKeyDWNSNGVMDZHGJQ-UHFFFAOYSA-N
MW298.09 g/mol
LogP2.81
Rot. Bonds3

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

4-bromo-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxylic acid (PubChem CID 102158832) has the molecular formula C11H8BrNO4 and a molecular weight of 298.09 g/mol. Its IUPAC name is 4-bromo-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name4-bromo-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
PubChem CID102158832
Molecular FormulaC11H8BrNO4
Molecular Weight298.09 g/mol
Exact Mass296.96
IUPAC Name4-bromo-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
SMILESCOc1cccc(-c2onc(C(=O)O)c2Br)c1
InChIInChI=1S/C11H8BrNO4/c1-16-7-4-2-3-6(5-7)10-8(12)9(11(14)15)13-17-10/h2-5H,1H3,(H,14,15)
InChIKeyDWNSNGVMDZHGJQ-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

3,5-bis(3-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 22554992
4-bromo-5-(3-methoxyphenyl)-1,2-oxazole-3-carbonitrile
CID 116859108
methyl 4-bromo-5-(3-nitrophenyl)-1,2-oxazole-3-carboxylate
CID 16735808
3-(3-methoxyphenyl)-4-methyl-1,2-oxazole-5-carboxylic acid
CID 82362326
3-(3-methoxyphenyl)pyridine-2-carboxylic acid
CID 52983911
4-bromo-5-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,2-oxazole-3-carboxylic acid
CID 116858095
4-bromo-5-(4-methoxy-2,3-dimethylphenyl)-1,2-oxazole-3-carboxylic acid
CID 116858082
5-bromo-3-(3-methoxyphenyl)-1,2-oxazole
CID 84708024
3-(3-methoxyphenyl)thieno[2,3-c][1,2]oxazole
CID 70149039
5-(3-methoxyphenyl)-1-methyltriazole-4-carboxylic acid
CID 82207563
4-bromo-5-(4-ethylsulfanylphenyl)-1,2-oxazole-3-carboxylic acid
CID 116858090
6-amino-3-(3-methoxyphenyl)pyridine-2-carboxylic acid
CID 53229205

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 4-bromo-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxylic acid (CID 102158832) is 4-bromo-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 4-bromo-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 4-bromo-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxylic acid is COc1cccc(-c2onc(C(=O)O)c2Br)c1.
What is the InChIKey of 4-bromo-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is DWNSNGVMDZHGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrNO4/c1-16-7-4-2-3-6(5-7)10-8(12)9(11(14)15)13-17-10/h2-5H,1H3,(H,14,15).
What are the key properties of 4-bromo-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxylic acid?
4-bromo-5-(3-methoxyphenyl)-1,2-oxazole-3-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 4-bromo-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 102158832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).