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

C10H7Br2NO3 — CID 57253065

IUPAC3-(3,4-dibromophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)C1C=C(c2ccc(Br)c(Br)c2)NO1
InChIInChI=1S/C10H7Br2NO3/c11-6-2-1-5(3-7(6)12)8-4-9(10(14)15)16-13-8/h1-4,9,13H,(H,14,15)
InChIKeyFFAHEJLUFJQFLE-UHFFFAOYSA-N
MW348.98 g/mol
LogP2.54
Rot. Bonds2

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

3-(3,4-dibromophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid (PubChem CID 57253065) has the molecular formula C10H7Br2NO3 and a molecular weight of 348.98 g/mol. Its IUPAC name is 3-(3,4-dibromophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(3,4-dibromophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid
PubChem CID57253065
Molecular FormulaC10H7Br2NO3
Molecular Weight348.98 g/mol
Exact Mass346.88
IUPAC Name3-(3,4-dibromophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)C1C=C(c2ccc(Br)c(Br)c2)NO1
InChIInChI=1S/C10H7Br2NO3/c11-6-2-1-5(3-7(6)12)8-4-9(10(14)15)16-13-8/h1-4,9,13H,(H,14,15)
InChIKeyFFAHEJLUFJQFLE-UHFFFAOYSA-N
XLogP2.54
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.98
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(4-Bromophenyl)ethenylamino]oxyacetic acid
CID 1849698
[3-(4-Bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol
CID 56982022
3-(4-Bromophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 57164117
3-(2,4-Dibromophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 57250622
3-(3-Bromophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 57276634
[(5R)-3-(4-bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol
CID 57282287
3-(2-Bromophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 57322933
3-(3,5-Dibromophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 57323601

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dibromophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(3,4-dibromophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid (CID 57253065) is 3-(3,4-dibromophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(3,4-dibromophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(3,4-dibromophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid is O=C(O)C1C=C(c2ccc(Br)c(Br)c2)NO1.
What is the InChIKey of 3-(3,4-dibromophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid?
The InChIKey is FFAHEJLUFJQFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Br2NO3/c11-6-2-1-5(3-7(6)12)8-4-9(10(14)15)16-13-8/h1-4,9,13H,(H,14,15).
What are the key properties of 3-(3,4-dibromophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid?
3-(3,4-dibromophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid has a molecular weight of 348.98 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dibromophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 57253065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).