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

C8H9NO3 — CID 53399655

IUPAC2-cyclobutyl-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1coc(C2CCC2)n1
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
LogP1.64
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
SMILESO=C(O)c1coc(C2CCC2)n1
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
XLogP1.64
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

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

Related Compounds

2-(oxan-3-yl)-1,3-oxazole-4-carboxylic acid
CID 63014929
2-(oxolan-3-yl)-1,3-oxazole-4-carboxylic acid
CID 62234864
(2-cyclononyl-1,3-oxazol-4-yl)-phenylmethanone
CID 138501083
2-(1-tert-butylpiperidin-4-yl)-1,3-oxazole-4-carboxylic acid
CID 59035438
2-cyclobutyl-N-[4-[(2-cyclobutyl-1,3-oxazole-4-carbonyl)amino]cyclohexyl]-1,3-oxazole-4-carboxamide
CID 167759305
2-[(1R,2S)-2-methylcyclopropyl]-1,3-oxazole-4-carboxylic acid
CID 94379394
2-[2-(trifluoromethyl)cyclohexyl]-1,3-oxazole-4-carboxylic acid
CID 113434005
2-cyclobutyl-N-(2-oxo-1-pyridinyl)-1,3-oxazole-4-carboxamide
CID 166233624
2-[1-(1,3-dihydroisoindole-2-carbonyl)azetidin-3-yl]-1,3-oxazole-4-carboxylic acid
CID 166314361
N-cyclobutylsulfonyl-2-cyclopropyl-1,3-oxazole-4-carboxamide
CID 167760220
2-(2-cyclobutylpropan-2-yl)-1,3-oxazole-4-carboxylic acid
CID 131064781
N-(6-carbamoyl-3-pyridinyl)-2-cyclobutyl-1,3-oxazole-4-carboxamide
CID 126784346

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 O=C(O)c1coc(C2CCC2)n1.
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 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 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).