5-(4-bromophenyl)-3-methyl-1,2-oxazole-4-carboxylic acid

C11H8BrNO3 — CID 56604559

IUPAC5-(4-bromophenyl)-3-methyl-1,2-oxazole-4-carboxylic acid
SMILESCc1noc(-c2ccc(Br)cc2)c1C(=O)O
InChIInChI=1S/C11H8BrNO3/c1-6-9(11(14)15)10(16-13-6)7-2-4-8(12)5-3-7/h2-5H,1H3,(H,14,15)
InChIKeyGFLKZFOUAHOGJF-UHFFFAOYSA-N
MW282.09 g/mol
LogP3.11
Rot. Bonds2

About 5-(4-bromophenyl)-3-methyl-1,2-oxazole-4-carboxylic acid

5-(4-bromophenyl)-3-methyl-1,2-oxazole-4-carboxylic acid (PubChem CID 56604559) has the molecular formula C11H8BrNO3 and a molecular weight of 282.09 g/mol. Its IUPAC name is 5-(4-bromophenyl)-3-methyl-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(4-bromophenyl)-3-methyl-1,2-oxazole-4-carboxylic acid
PubChem CID56604559
Molecular FormulaC11H8BrNO3
Molecular Weight282.09 g/mol
Exact Mass280.97
IUPAC Name5-(4-bromophenyl)-3-methyl-1,2-oxazole-4-carboxylic acid
SMILESCc1noc(-c2ccc(Br)cc2)c1C(=O)O
InChIInChI=1S/C11H8BrNO3/c1-6-9(11(14)15)10(16-13-6)7-2-4-8(12)5-3-7/h2-5H,1H3,(H,14,15)
InChIKeyGFLKZFOUAHOGJF-UHFFFAOYSA-N
XLogP3.11
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.09
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-3-methyl-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-(4-bromophenyl)-3-methyl-1,2-oxazole-4-carboxylic acid (CID 56604559) is 5-(4-bromophenyl)-3-methyl-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-(4-bromophenyl)-3-methyl-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-(4-bromophenyl)-3-methyl-1,2-oxazole-4-carboxylic acid is Cc1noc(-c2ccc(Br)cc2)c1C(=O)O.
What is the InChIKey of 5-(4-bromophenyl)-3-methyl-1,2-oxazole-4-carboxylic acid?
The InChIKey is GFLKZFOUAHOGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrNO3/c1-6-9(11(14)15)10(16-13-6)7-2-4-8(12)5-3-7/h2-5H,1H3,(H,14,15).
What are the key properties of 5-(4-bromophenyl)-3-methyl-1,2-oxazole-4-carboxylic acid?
5-(4-bromophenyl)-3-methyl-1,2-oxazole-4-carboxylic acid has a molecular weight of 282.09 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-3-methyl-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 56604559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).