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

C10H6BrNO3 — CID 2771350

IUPAC5-(4-bromophenyl)-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(Br)cc2)on1
InChIInChI=1S/C10H6BrNO3/c11-7-3-1-6(2-4-7)9-5-8(10(13)14)12-15-9/h1-5H,(H,13,14)
InChIKeyMLMNGXLPBJRYFI-UHFFFAOYSA-N
MW268.07 g/mol
LogP2.80
Rot. Bonds2

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

5-(4-bromophenyl)-1,2-oxazole-3-carboxylic acid (PubChem CID 2771350) has the molecular formula C10H6BrNO3 and a molecular weight of 268.07 g/mol. Its IUPAC name is 5-(4-bromophenyl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(4-bromophenyl)-1,2-oxazole-3-carboxylic acid
PubChem CID2771350
Molecular FormulaC10H6BrNO3
Molecular Weight268.07 g/mol
Exact Mass266.95
IUPAC Name5-(4-bromophenyl)-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(Br)cc2)on1
InChIInChI=1S/C10H6BrNO3/c11-7-3-1-6(2-4-7)9-5-8(10(13)14)12-15-9/h1-5H,(H,13,14)
InChIKeyMLMNGXLPBJRYFI-UHFFFAOYSA-N
XLogP2.80
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.07
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(4-bromophenyl)-1,2-oxazole-3-carboxylic acid (CID 2771350) is 5-(4-bromophenyl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(4-bromophenyl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(4-bromophenyl)-1,2-oxazole-3-carboxylic acid is O=C(O)c1cc(-c2ccc(Br)cc2)on1.
What is the InChIKey of 5-(4-bromophenyl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is MLMNGXLPBJRYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrNO3/c11-7-3-1-6(2-4-7)9-5-8(10(13)14)12-15-9/h1-5H,(H,13,14).
What are the key properties of 5-(4-bromophenyl)-1,2-oxazole-3-carboxylic acid?
5-(4-bromophenyl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 268.07 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 2771350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).