3-(1,3-oxazol-4-yl)butanoic acid

C7H9NO3 — CID 82595524

IUPAC3-(1,3-oxazol-4-yl)butanoic acid
SMILESCC(CC(=O)O)c1cocn1
InChIInChI=1S/C7H9NO3/c1-5(2-7(9)10)6-3-11-4-8-6/h3-5H,2H2,1H3,(H,9,10)
InChIKeyFJZLHQPHOPJLCH-UHFFFAOYSA-N
MW155.15 g/mol
LogP1.25
Rot. Bonds3

About 3-(1,3-oxazol-4-yl)butanoic acid

3-(1,3-oxazol-4-yl)butanoic acid (PubChem CID 82595524) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is 3-(1,3-oxazol-4-yl)butanoic acid.

Molecular Properties

Compound Name3-(1,3-oxazol-4-yl)butanoic acid
PubChem CID82595524
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Name3-(1,3-oxazol-4-yl)butanoic acid
SMILESCC(CC(=O)O)c1cocn1
InChIInChI=1S/C7H9NO3/c1-5(2-7(9)10)6-3-11-4-8-6/h3-5H,2H2,1H3,(H,9,10)
InChIKeyFJZLHQPHOPJLCH-UHFFFAOYSA-N
XLogP1.25
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-oxazol-4-yl)butanoic acid?
The IUPAC name of 3-(1,3-oxazol-4-yl)butanoic acid (CID 82595524) is 3-(1,3-oxazol-4-yl)butanoic acid.
What is the SMILES notation for 3-(1,3-oxazol-4-yl)butanoic acid?
The canonical SMILES for 3-(1,3-oxazol-4-yl)butanoic acid is CC(CC(=O)O)c1cocn1.
What is the InChIKey of 3-(1,3-oxazol-4-yl)butanoic acid?
The InChIKey is FJZLHQPHOPJLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3/c1-5(2-7(9)10)6-3-11-4-8-6/h3-5H,2H2,1H3,(H,9,10).
What are the key properties of 3-(1,3-oxazol-4-yl)butanoic acid?
3-(1,3-oxazol-4-yl)butanoic acid has a molecular weight of 155.15 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-oxazol-4-yl)butanoic acid is sourced from PubChem (CID 82595524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).