2-(2-cyclobutylpropan-2-yl)-1,3-oxazole-4-carboxylic acid

C11H15NO3 — CID 131064781

IUPAC2-(2-cyclobutylpropan-2-yl)-1,3-oxazole-4-carboxylic acid
SMILESCC(C)(c1nc(C(=O)O)co1)C1CCC1
InChIInChI=1S/C11H15NO3/c1-11(2,7-4-3-5-7)10-12-8(6-15-10)9(13)14/h6-7H,3-5H2,1-2H3,(H,13,14)
InChIKeyONIPDDGIZWBSDK-UHFFFAOYSA-N
MW209.24 g/mol
LogP2.45
Rot. Bonds3

About 2-(2-cyclobutylpropan-2-yl)-1,3-oxazole-4-carboxylic acid

2-(2-cyclobutylpropan-2-yl)-1,3-oxazole-4-carboxylic acid (PubChem CID 131064781) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 2-(2-cyclobutylpropan-2-yl)-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-cyclobutylpropan-2-yl)-1,3-oxazole-4-carboxylic acid
PubChem CID131064781
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name2-(2-cyclobutylpropan-2-yl)-1,3-oxazole-4-carboxylic acid
SMILESCC(C)(c1nc(C(=O)O)co1)C1CCC1
InChIInChI=1S/C11H15NO3/c1-11(2,7-4-3-5-7)10-12-8(6-15-10)9(13)14/h6-7H,3-5H2,1-2H3,(H,13,14)
InChIKeyONIPDDGIZWBSDK-UHFFFAOYSA-N
XLogP2.45
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclobutylpropan-2-yl)-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-(2-cyclobutylpropan-2-yl)-1,3-oxazole-4-carboxylic acid (CID 131064781) is 2-(2-cyclobutylpropan-2-yl)-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-(2-cyclobutylpropan-2-yl)-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-(2-cyclobutylpropan-2-yl)-1,3-oxazole-4-carboxylic acid is CC(C)(c1nc(C(=O)O)co1)C1CCC1.
What is the InChIKey of 2-(2-cyclobutylpropan-2-yl)-1,3-oxazole-4-carboxylic acid?
The InChIKey is ONIPDDGIZWBSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-11(2,7-4-3-5-7)10-12-8(6-15-10)9(13)14/h6-7H,3-5H2,1-2H3,(H,13,14).
What are the key properties of 2-(2-cyclobutylpropan-2-yl)-1,3-oxazole-4-carboxylic acid?
2-(2-cyclobutylpropan-2-yl)-1,3-oxazole-4-carboxylic acid has a molecular weight of 209.24 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclobutylpropan-2-yl)-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 131064781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).