3-(methoxymethyl)-1,2,4-oxadiazole-5-carboxylic acid

C5H6N2O4 — CID 66993527

IUPAC3-(methoxymethyl)-1,2,4-oxadiazole-5-carboxylic acid
SMILESCOCc1noc(C(=O)O)n1
InChIInChI=1S/C5H6N2O4/c1-10-2-3-6-4(5(8)9)11-7-3/h2H2,1H3,(H,8,9)
InChIKeyGUKUWPKZHJMRJT-UHFFFAOYSA-N
MW158.11 g/mol
LogP-0.09
Rot. Bonds3

About 3-(methoxymethyl)-1,2,4-oxadiazole-5-carboxylic acid

3-(methoxymethyl)-1,2,4-oxadiazole-5-carboxylic acid (PubChem CID 66993527) has the molecular formula C5H6N2O4 and a molecular weight of 158.11 g/mol. Its IUPAC name is 3-(methoxymethyl)-1,2,4-oxadiazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(methoxymethyl)-1,2,4-oxadiazole-5-carboxylic acid
PubChem CID66993527
Molecular FormulaC5H6N2O4
Molecular Weight158.11 g/mol
Exact Mass158.03
IUPAC Name3-(methoxymethyl)-1,2,4-oxadiazole-5-carboxylic acid
SMILESCOCc1noc(C(=O)O)n1
InChIInChI=1S/C5H6N2O4/c1-10-2-3-6-4(5(8)9)11-7-3/h2H2,1H3,(H,8,9)
InChIKeyGUKUWPKZHJMRJT-UHFFFAOYSA-N
XLogP-0.09
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.11
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-1,2,4-oxadiazole-5-carboxylic acid?
The IUPAC name of 3-(methoxymethyl)-1,2,4-oxadiazole-5-carboxylic acid (CID 66993527) is 3-(methoxymethyl)-1,2,4-oxadiazole-5-carboxylic acid.
What is the SMILES notation for 3-(methoxymethyl)-1,2,4-oxadiazole-5-carboxylic acid?
The canonical SMILES for 3-(methoxymethyl)-1,2,4-oxadiazole-5-carboxylic acid is COCc1noc(C(=O)O)n1.
What is the InChIKey of 3-(methoxymethyl)-1,2,4-oxadiazole-5-carboxylic acid?
The InChIKey is GUKUWPKZHJMRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O4/c1-10-2-3-6-4(5(8)9)11-7-3/h2H2,1H3,(H,8,9).
What are the key properties of 3-(methoxymethyl)-1,2,4-oxadiazole-5-carboxylic acid?
3-(methoxymethyl)-1,2,4-oxadiazole-5-carboxylic acid has a molecular weight of 158.11 g/mol, XLogP of -0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-1,2,4-oxadiazole-5-carboxylic acid is sourced from PubChem (CID 66993527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).