4-cyclobutyl-1,2-oxazole-3-carboxylic acid

C8H9NO3 — CID 84652576

IUPAC4-cyclobutyl-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1nocc1C1CCC1
InChIInChI=1S/C8H9NO3/c10-8(11)7-6(4-12-9-7)5-2-1-3-5/h4-5H,1-3H2,(H,10,11)
InChIKeyWRYXIUJFBZYDRL-UHFFFAOYSA-N
MW167.16 g/mol
LogP1.64
Rot. Bonds2

About 4-cyclobutyl-1,2-oxazole-3-carboxylic acid

4-cyclobutyl-1,2-oxazole-3-carboxylic acid (PubChem CID 84652576) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is 4-cyclobutyl-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name4-cyclobutyl-1,2-oxazole-3-carboxylic acid
PubChem CID84652576
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Name4-cyclobutyl-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1nocc1C1CCC1
InChIInChI=1S/C8H9NO3/c10-8(11)7-6(4-12-9-7)5-2-1-3-5/h4-5H,1-3H2,(H,10,11)
InChIKeyWRYXIUJFBZYDRL-UHFFFAOYSA-N
XLogP1.64
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyl-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 4-cyclobutyl-1,2-oxazole-3-carboxylic acid (CID 84652576) is 4-cyclobutyl-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 4-cyclobutyl-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 4-cyclobutyl-1,2-oxazole-3-carboxylic acid is O=C(O)c1nocc1C1CCC1.
What is the InChIKey of 4-cyclobutyl-1,2-oxazole-3-carboxylic acid?
The InChIKey is WRYXIUJFBZYDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3/c10-8(11)7-6(4-12-9-7)5-2-1-3-5/h4-5H,1-3H2,(H,10,11).
What are the key properties of 4-cyclobutyl-1,2-oxazole-3-carboxylic acid?
4-cyclobutyl-1,2-oxazole-3-carboxylic acid has a molecular weight of 167.16 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyl-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 84652576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).