2-(2,2-dimethylpropyl)-5-ethoxy-1,3-oxazole-4-carboxylic acid

C11H17NO4 — CID 62887106

IUPAC2-(2,2-dimethylpropyl)-5-ethoxy-1,3-oxazole-4-carboxylic acid
SMILESCCOc1oc(CC(C)(C)C)nc1C(=O)O
InChIInChI=1S/C11H17NO4/c1-5-15-10-8(9(13)14)12-7(16-10)6-11(2,3)4/h5-6H2,1-4H3,(H,13,14)
InChIKeyVCXAVLIZCIUEGA-UHFFFAOYSA-N
MW227.26 g/mol
LogP2.36
Rot. Bonds4

About 2-(2,2-dimethylpropyl)-5-ethoxy-1,3-oxazole-4-carboxylic acid

2-(2,2-dimethylpropyl)-5-ethoxy-1,3-oxazole-4-carboxylic acid (PubChem CID 62887106) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-5-ethoxy-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-5-ethoxy-1,3-oxazole-4-carboxylic acid
PubChem CID62887106
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name2-(2,2-dimethylpropyl)-5-ethoxy-1,3-oxazole-4-carboxylic acid
SMILESCCOc1oc(CC(C)(C)C)nc1C(=O)O
InChIInChI=1S/C11H17NO4/c1-5-15-10-8(9(13)14)12-7(16-10)6-11(2,3)4/h5-6H2,1-4H3,(H,13,14)
InChIKeyVCXAVLIZCIUEGA-UHFFFAOYSA-N
XLogP2.36
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-5-ethoxy-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-(2,2-dimethylpropyl)-5-ethoxy-1,3-oxazole-4-carboxylic acid (CID 62887106) is 2-(2,2-dimethylpropyl)-5-ethoxy-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-5-ethoxy-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-(2,2-dimethylpropyl)-5-ethoxy-1,3-oxazole-4-carboxylic acid is CCOc1oc(CC(C)(C)C)nc1C(=O)O.
What is the InChIKey of 2-(2,2-dimethylpropyl)-5-ethoxy-1,3-oxazole-4-carboxylic acid?
The InChIKey is VCXAVLIZCIUEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4/c1-5-15-10-8(9(13)14)12-7(16-10)6-11(2,3)4/h5-6H2,1-4H3,(H,13,14).
What are the key properties of 2-(2,2-dimethylpropyl)-5-ethoxy-1,3-oxazole-4-carboxylic acid?
2-(2,2-dimethylpropyl)-5-ethoxy-1,3-oxazole-4-carboxylic acid has a molecular weight of 227.26 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-5-ethoxy-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 62887106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).