5-(4-hydroxy-2,2-dimethyloxan-4-yl)-1,2-oxazole-3-carboxylic acid

C11H15NO5 — CID 16765185

IUPAC5-(4-hydroxy-2,2-dimethyloxan-4-yl)-1,2-oxazole-3-carboxylic acid
SMILESCC1(C)CC(O)(c2cc(C(=O)O)no2)CCO1
InChIInChI=1S/C11H15NO5/c1-10(2)6-11(15,3-4-16-10)8-5-7(9(13)14)12-17-8/h5,15H,3-4,6H2,1-2H3,(H,13,14)
InChIKeyBMLQQWUTUVXMDM-UHFFFAOYSA-N
MW241.24 g/mol
LogP1.15
Rot. Bonds2

About 5-(4-hydroxy-2,2-dimethyloxan-4-yl)-1,2-oxazole-3-carboxylic acid

5-(4-hydroxy-2,2-dimethyloxan-4-yl)-1,2-oxazole-3-carboxylic acid (PubChem CID 16765185) has the molecular formula C11H15NO5 and a molecular weight of 241.24 g/mol. Its IUPAC name is 5-(4-hydroxy-2,2-dimethyloxan-4-yl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(4-hydroxy-2,2-dimethyloxan-4-yl)-1,2-oxazole-3-carboxylic acid
PubChem CID16765185
Molecular FormulaC11H15NO5
Molecular Weight241.24 g/mol
Exact Mass241.10
IUPAC Name5-(4-hydroxy-2,2-dimethyloxan-4-yl)-1,2-oxazole-3-carboxylic acid
SMILESCC1(C)CC(O)(c2cc(C(=O)O)no2)CCO1
InChIInChI=1S/C11H15NO5/c1-10(2)6-11(15,3-4-16-10)8-5-7(9(13)14)12-17-8/h5,15H,3-4,6H2,1-2H3,(H,13,14)
InChIKeyBMLQQWUTUVXMDM-UHFFFAOYSA-N
XLogP1.15
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxy-2,2-dimethyloxan-4-yl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(4-hydroxy-2,2-dimethyloxan-4-yl)-1,2-oxazole-3-carboxylic acid (CID 16765185) is 5-(4-hydroxy-2,2-dimethyloxan-4-yl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(4-hydroxy-2,2-dimethyloxan-4-yl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(4-hydroxy-2,2-dimethyloxan-4-yl)-1,2-oxazole-3-carboxylic acid is CC1(C)CC(O)(c2cc(C(=O)O)no2)CCO1.
What is the InChIKey of 5-(4-hydroxy-2,2-dimethyloxan-4-yl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is BMLQQWUTUVXMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5/c1-10(2)6-11(15,3-4-16-10)8-5-7(9(13)14)12-17-8/h5,15H,3-4,6H2,1-2H3,(H,13,14).
What are the key properties of 5-(4-hydroxy-2,2-dimethyloxan-4-yl)-1,2-oxazole-3-carboxylic acid?
5-(4-hydroxy-2,2-dimethyloxan-4-yl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 241.24 g/mol, XLogP of 1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxy-2,2-dimethyloxan-4-yl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 16765185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).