2-(methoxymethyl)-4-(5-methyl-1,2-oxazol-4-yl)furan-3-carboxylic acid

C11H11NO5 — CID 96594049

IUPAC2-(methoxymethyl)-4-(5-methyl-1,2-oxazol-4-yl)furan-3-carboxylic acid
SMILESCOCc1occ(-c2cnoc2C)c1C(=O)O
InChIInChI=1S/C11H11NO5/c1-6-7(3-12-17-6)8-4-16-9(5-15-2)10(8)11(13)14/h3-4H,5H2,1-2H3,(H,13,14)
InChIKeyABZQAKAUTGEPHE-UHFFFAOYSA-N
MW237.21 g/mol
LogP2.09
Rot. Bonds4

About 2-(methoxymethyl)-4-(5-methyl-1,2-oxazol-4-yl)furan-3-carboxylic acid

2-(methoxymethyl)-4-(5-methyl-1,2-oxazol-4-yl)furan-3-carboxylic acid (PubChem CID 96594049) has the molecular formula C11H11NO5 and a molecular weight of 237.21 g/mol. Its IUPAC name is 2-(methoxymethyl)-4-(5-methyl-1,2-oxazol-4-yl)furan-3-carboxylic acid.

Molecular Properties

Compound Name2-(methoxymethyl)-4-(5-methyl-1,2-oxazol-4-yl)furan-3-carboxylic acid
PubChem CID96594049
Molecular FormulaC11H11NO5
Molecular Weight237.21 g/mol
Exact Mass237.06
IUPAC Name2-(methoxymethyl)-4-(5-methyl-1,2-oxazol-4-yl)furan-3-carboxylic acid
SMILESCOCc1occ(-c2cnoc2C)c1C(=O)O
InChIInChI=1S/C11H11NO5/c1-6-7(3-12-17-6)8-4-16-9(5-15-2)10(8)11(13)14/h3-4H,5H2,1-2H3,(H,13,14)
InChIKeyABZQAKAUTGEPHE-UHFFFAOYSA-N
XLogP2.09
TPSA85.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.21
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-4-(5-methyl-1,2-oxazol-4-yl)furan-3-carboxylic acid?
The IUPAC name of 2-(methoxymethyl)-4-(5-methyl-1,2-oxazol-4-yl)furan-3-carboxylic acid (CID 96594049) is 2-(methoxymethyl)-4-(5-methyl-1,2-oxazol-4-yl)furan-3-carboxylic acid.
What is the SMILES notation for 2-(methoxymethyl)-4-(5-methyl-1,2-oxazol-4-yl)furan-3-carboxylic acid?
The canonical SMILES for 2-(methoxymethyl)-4-(5-methyl-1,2-oxazol-4-yl)furan-3-carboxylic acid is COCc1occ(-c2cnoc2C)c1C(=O)O.
What is the InChIKey of 2-(methoxymethyl)-4-(5-methyl-1,2-oxazol-4-yl)furan-3-carboxylic acid?
The InChIKey is ABZQAKAUTGEPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO5/c1-6-7(3-12-17-6)8-4-16-9(5-15-2)10(8)11(13)14/h3-4H,5H2,1-2H3,(H,13,14).
What are the key properties of 2-(methoxymethyl)-4-(5-methyl-1,2-oxazol-4-yl)furan-3-carboxylic acid?
2-(methoxymethyl)-4-(5-methyl-1,2-oxazol-4-yl)furan-3-carboxylic acid has a molecular weight of 237.21 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-4-(5-methyl-1,2-oxazol-4-yl)furan-3-carboxylic acid is sourced from PubChem (CID 96594049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).