potassium 5-(methoxymethyl)-1,2,4-oxadiazole-3-carboxylate

C5H5KN2O4 — CID 75419918

IUPACpotassium 5-(methoxymethyl)-1,2,4-oxadiazole-3-carboxylate
SMILESCOCc1nc(C(=O)[O-])no1.[K+]
InChIInChI=1S/C5H6N2O4.K/c1-10-2-3-6-4(5(8)9)7-11-3;/h2H2,1H3,(H,8,9);/q;+1/p-1
InChIKeyDGAQZTLUJLLRDN-UHFFFAOYSA-M
MW196.20 g/mol
LogP-4.42
Rot. Bonds3

About potassium 5-(methoxymethyl)-1,2,4-oxadiazole-3-carboxylate

potassium 5-(methoxymethyl)-1,2,4-oxadiazole-3-carboxylate (PubChem CID 75419918) has the molecular formula C5H5KN2O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is potassium 5-(methoxymethyl)-1,2,4-oxadiazole-3-carboxylate.

Molecular Properties

Compound Namepotassium 5-(methoxymethyl)-1,2,4-oxadiazole-3-carboxylate
PubChem CID75419918
Molecular FormulaC5H5KN2O4
Molecular Weight196.20 g/mol
Exact Mass195.99
IUPAC Namepotassium 5-(methoxymethyl)-1,2,4-oxadiazole-3-carboxylate
SMILESCOCc1nc(C(=O)[O-])no1.[K+]
InChIInChI=1S/C5H6N2O4.K/c1-10-2-3-6-4(5(8)9)7-11-3;/h2H2,1H3,(H,8,9);/q;+1/p-1
InChIKeyDGAQZTLUJLLRDN-UHFFFAOYSA-M
XLogP-4.42
TPSA88.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 5-4.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of potassium 5-(methoxymethyl)-1,2,4-oxadiazole-3-carboxylate?
The IUPAC name of potassium 5-(methoxymethyl)-1,2,4-oxadiazole-3-carboxylate (CID 75419918) is potassium 5-(methoxymethyl)-1,2,4-oxadiazole-3-carboxylate.
What is the SMILES notation for potassium 5-(methoxymethyl)-1,2,4-oxadiazole-3-carboxylate?
The canonical SMILES for potassium 5-(methoxymethyl)-1,2,4-oxadiazole-3-carboxylate is COCc1nc(C(=O)[O-])no1.[K+].
What is the InChIKey of potassium 5-(methoxymethyl)-1,2,4-oxadiazole-3-carboxylate?
The InChIKey is DGAQZTLUJLLRDN-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H6N2O4.K/c1-10-2-3-6-4(5(8)9)7-11-3;/h2H2,1H3,(H,8,9);/q;+1/p-1.
What are the key properties of potassium 5-(methoxymethyl)-1,2,4-oxadiazole-3-carboxylate?
potassium 5-(methoxymethyl)-1,2,4-oxadiazole-3-carboxylate has a molecular weight of 196.20 g/mol, XLogP of -4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 5-(methoxymethyl)-1,2,4-oxadiazole-3-carboxylate is sourced from PubChem (CID 75419918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).