2-(2,4-dibromophenyl)-1,3-oxazole-4-carboxylic acid

C10H5Br2NO3 — CID 107940915

IUPAC2-(2,4-dibromophenyl)-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1coc(-c2ccc(Br)cc2Br)n1
InChIInChI=1S/C10H5Br2NO3/c11-5-1-2-6(7(12)3-5)9-13-8(4-16-9)10(14)15/h1-4H,(H,14,15)
InChIKeyWRORUCGNUKTBDN-UHFFFAOYSA-N
MW346.96 g/mol
LogP3.56
Rot. Bonds2

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

2-(2,4-dibromophenyl)-1,3-oxazole-4-carboxylic acid (PubChem CID 107940915) has the molecular formula C10H5Br2NO3 and a molecular weight of 346.96 g/mol. Its IUPAC name is 2-(2,4-dibromophenyl)-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(2,4-dibromophenyl)-1,3-oxazole-4-carboxylic acid
PubChem CID107940915
Molecular FormulaC10H5Br2NO3
Molecular Weight346.96 g/mol
Exact Mass344.86
IUPAC Name2-(2,4-dibromophenyl)-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1coc(-c2ccc(Br)cc2Br)n1
InChIInChI=1S/C10H5Br2NO3/c11-5-1-2-6(7(12)3-5)9-13-8(4-16-9)10(14)15/h1-4H,(H,14,15)
InChIKeyWRORUCGNUKTBDN-UHFFFAOYSA-N
XLogP3.56
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.96
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-2-methoxyphenyl)-1,3-oxazole-4-carboxylic acid
CID 115370044
ethyl 2-(4-bromo-2-fluorophenyl)-1,3-oxazole-4-carboxylate
CID 142682727
2-(2-fluoro-4-methylsulfanylphenyl)-1,3-oxazole-4-carboxylic acid
CID 144563914
2-(2,4,5-trimethoxyphenyl)-1,3-oxazole-4-carboxylic acid
CID 62234680
2-(2,4-dibromophenyl)benzoic acid
CID 175057498
2-(5-fluoro-2-methylphenyl)-1,3-oxazole-4-carboxylic acid
CID 63048806
2-(2,4-dibromophenyl)-5-ethoxy-1,3-oxazole-4-carboxylic acid
CID 114018633
2-(4-methoxy-2,3-dimethylphenyl)-1,3-oxazole-4-carboxylic acid
CID 82479704
2-(1,3-oxazol-4-yl)-1,3-oxazole-4-carboxylic acid
CID 58443555
2,4-dibromobenzoic acid
CID 11896
2-(1-methylimidazol-4-yl)-1,3-oxazole-4-carboxylic acid
CID 107974655
2-(2,3,5,6-tetramethylphenyl)-1,3-oxazole-4-carboxylic acid
CID 82478867

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dibromophenyl)-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-(2,4-dibromophenyl)-1,3-oxazole-4-carboxylic acid (CID 107940915) is 2-(2,4-dibromophenyl)-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-(2,4-dibromophenyl)-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-(2,4-dibromophenyl)-1,3-oxazole-4-carboxylic acid is O=C(O)c1coc(-c2ccc(Br)cc2Br)n1.
What is the InChIKey of 2-(2,4-dibromophenyl)-1,3-oxazole-4-carboxylic acid?
The InChIKey is WRORUCGNUKTBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Br2NO3/c11-5-1-2-6(7(12)3-5)9-13-8(4-16-9)10(14)15/h1-4H,(H,14,15).
What are the key properties of 2-(2,4-dibromophenyl)-1,3-oxazole-4-carboxylic acid?
2-(2,4-dibromophenyl)-1,3-oxazole-4-carboxylic acid has a molecular weight of 346.96 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dibromophenyl)-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 107940915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).