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

C8H9NO3 — CID 53399655

IUPAC2-cyclobutyl-1,3-oxazole-4-carboxylic acid
SMILESC1CC(C1)C2=NC(=CO2)C(=O)O
InChIInChI=1S/C8H9NO3/c10-8(11)6-4-12-7(9-6)5-2-1-3-5/h4-5H,1-3H2,(H,10,11)
InChIKeyBHGYEFGSVNXEME-UHFFFAOYSA-N
MW167.16 g/mol
LogP1.30
Rot. Bonds2

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

2-Cyclobutyl-1,3-oxazole-4-carboxylic acid (PubChem CID 53399655) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is 2-cyclobutyl-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-Cyclobutyl-1,3-oxazole-4-carboxylic acid
PubChem CID53399655
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Name2-cyclobutyl-1,3-oxazole-4-carboxylic acid
SMILESC1CC(C1)C2=NC(=CO2)C(=O)O
InChIInChI=1S/C8H9NO3/c10-8(11)6-4-12-7(9-6)5-2-1-3-5/h4-5H,1-3H2,(H,10,11)
InChIKeyBHGYEFGSVNXEME-UHFFFAOYSA-N
XLogP1.30
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity191

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-Cyclobutyl-1,3-oxazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-Cyclobutyl-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-Cyclobutyl-1,3-oxazole-4-carboxylic acid (CID 53399655) is 2-cyclobutyl-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-Cyclobutyl-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-Cyclobutyl-1,3-oxazole-4-carboxylic acid is C1CC(C1)C2=NC(=CO2)C(=O)O.
What is the InChIKey of 2-Cyclobutyl-1,3-oxazole-4-carboxylic acid?
The InChIKey is BHGYEFGSVNXEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3/c10-8(11)6-4-12-7(9-6)5-2-1-3-5/h4-5H,1-3H2,(H,10,11).
What are the key properties of 2-Cyclobutyl-1,3-oxazole-4-carboxylic acid?
2-Cyclobutyl-1,3-oxazole-4-carboxylic acid has a molecular weight of 167.16 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-Cyclobutyl-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 53399655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).