3-(2-bromo-1,3-oxazol-5-yl)butanoic acid

C7H8BrNO3 — CID 84697303

IUPAC3-(2-bromo-1,3-oxazol-5-yl)butanoic acid
SMILESCC(CC(=O)O)c1cnc(Br)o1
InChIInChI=1S/C7H8BrNO3/c1-4(2-6(10)11)5-3-9-7(8)12-5/h3-4H,2H2,1H3,(H,10,11)
InChIKeyGDCZCZTYLVJJRS-UHFFFAOYSA-N
MW234.05 g/mol
LogP2.02
Rot. Bonds3

About 3-(2-bromo-1,3-oxazol-5-yl)butanoic acid

3-(2-bromo-1,3-oxazol-5-yl)butanoic acid (PubChem CID 84697303) has the molecular formula C7H8BrNO3 and a molecular weight of 234.05 g/mol. Its IUPAC name is 3-(2-bromo-1,3-oxazol-5-yl)butanoic acid.

Molecular Properties

Compound Name3-(2-bromo-1,3-oxazol-5-yl)butanoic acid
PubChem CID84697303
Molecular FormulaC7H8BrNO3
Molecular Weight234.05 g/mol
Exact Mass232.97
IUPAC Name3-(2-bromo-1,3-oxazol-5-yl)butanoic acid
SMILESCC(CC(=O)O)c1cnc(Br)o1
InChIInChI=1S/C7H8BrNO3/c1-4(2-6(10)11)5-3-9-7(8)12-5/h3-4H,2H2,1H3,(H,10,11)
InChIKeyGDCZCZTYLVJJRS-UHFFFAOYSA-N
XLogP2.02
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.05
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-(5-methylfuran-2-yl)butanoic acid
CID 28791563
3-(1H-1,2,4-triazol-5-yl)butanoic acid
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3-(5-pyrimidin-5-ylfuran-2-yl)butanoic acid
CID 82543397
3-(5-bromo-1-methylpyrazol-4-yl)butanoic acid
CID 84803278
3-(5-bromo-4-methyl-3-pyridinyl)butanoic acid
CID 83901572
3-(1,3-oxazol-4-yl)butanoic acid
CID 82595524
3-(5-chloropyrazin-2-yl)butanoic acid
CID 83831777
3-(1H-pyrazol-4-yl)butanoic acid
CID 82595364
3-(4-methoxy-6-oxopyran-2-yl)butanoic acid
CID 75368777
3-[(5-bromofuran-2-carbonyl)amino]butanoic acid
CID 43240633
3-(5-propan-2-yl-1,2-oxazol-3-yl)butanoic acid
CID 83831331
3-(5-chloro-3-pyridinyl)butanoic acid
CID 84669087

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-1,3-oxazol-5-yl)butanoic acid?
The IUPAC name of 3-(2-bromo-1,3-oxazol-5-yl)butanoic acid (CID 84697303) is 3-(2-bromo-1,3-oxazol-5-yl)butanoic acid.
What is the SMILES notation for 3-(2-bromo-1,3-oxazol-5-yl)butanoic acid?
The canonical SMILES for 3-(2-bromo-1,3-oxazol-5-yl)butanoic acid is CC(CC(=O)O)c1cnc(Br)o1.
What is the InChIKey of 3-(2-bromo-1,3-oxazol-5-yl)butanoic acid?
The InChIKey is GDCZCZTYLVJJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNO3/c1-4(2-6(10)11)5-3-9-7(8)12-5/h3-4H,2H2,1H3,(H,10,11).
What are the key properties of 3-(2-bromo-1,3-oxazol-5-yl)butanoic acid?
3-(2-bromo-1,3-oxazol-5-yl)butanoic acid has a molecular weight of 234.05 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-1,3-oxazol-5-yl)butanoic acid is sourced from PubChem (CID 84697303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).