4-(methoxymethyl)-2-(2-methyloxolan-2-yl)-1,3-oxazole-5-carboxylic acid

C11H15NO5 — CID 114373810

IUPAC4-(methoxymethyl)-2-(2-methyloxolan-2-yl)-1,3-oxazole-5-carboxylic acid
SMILESCOCc1nc(C2(C)CCCO2)oc1C(=O)O
InChIInChI=1S/C11H15NO5/c1-11(4-3-5-16-11)10-12-7(6-15-2)8(17-10)9(13)14/h3-6H2,1-2H3,(H,13,14)
InChIKeyHPNQBTDSSMZPJJ-UHFFFAOYSA-N
MW241.24 g/mol
LogP1.54
Rot. Bonds4

About 4-(methoxymethyl)-2-(2-methyloxolan-2-yl)-1,3-oxazole-5-carboxylic acid

4-(methoxymethyl)-2-(2-methyloxolan-2-yl)-1,3-oxazole-5-carboxylic acid (PubChem CID 114373810) has the molecular formula C11H15NO5 and a molecular weight of 241.24 g/mol. Its IUPAC name is 4-(methoxymethyl)-2-(2-methyloxolan-2-yl)-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(methoxymethyl)-2-(2-methyloxolan-2-yl)-1,3-oxazole-5-carboxylic acid
PubChem CID114373810
Molecular FormulaC11H15NO5
Molecular Weight241.24 g/mol
Exact Mass241.10
IUPAC Name4-(methoxymethyl)-2-(2-methyloxolan-2-yl)-1,3-oxazole-5-carboxylic acid
SMILESCOCc1nc(C2(C)CCCO2)oc1C(=O)O
InChIInChI=1S/C11H15NO5/c1-11(4-3-5-16-11)10-12-7(6-15-2)8(17-10)9(13)14/h3-6H2,1-2H3,(H,13,14)
InChIKeyHPNQBTDSSMZPJJ-UHFFFAOYSA-N
XLogP1.54
TPSA81.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-2-(2-methyloxolan-2-yl)-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 4-(methoxymethyl)-2-(2-methyloxolan-2-yl)-1,3-oxazole-5-carboxylic acid (CID 114373810) is 4-(methoxymethyl)-2-(2-methyloxolan-2-yl)-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 4-(methoxymethyl)-2-(2-methyloxolan-2-yl)-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 4-(methoxymethyl)-2-(2-methyloxolan-2-yl)-1,3-oxazole-5-carboxylic acid is COCc1nc(C2(C)CCCO2)oc1C(=O)O.
What is the InChIKey of 4-(methoxymethyl)-2-(2-methyloxolan-2-yl)-1,3-oxazole-5-carboxylic acid?
The InChIKey is HPNQBTDSSMZPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5/c1-11(4-3-5-16-11)10-12-7(6-15-2)8(17-10)9(13)14/h3-6H2,1-2H3,(H,13,14).
What are the key properties of 4-(methoxymethyl)-2-(2-methyloxolan-2-yl)-1,3-oxazole-5-carboxylic acid?
4-(methoxymethyl)-2-(2-methyloxolan-2-yl)-1,3-oxazole-5-carboxylic acid has a molecular weight of 241.24 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-2-(2-methyloxolan-2-yl)-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 114373810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).