potassium 5-ethyl-1,2,4-oxadiazole-3-carboxylate

C5H5KN2O3 — CID 75481271

IUPACpotassium 5-ethyl-1,2,4-oxadiazole-3-carboxylate
SMILESCCc1nc(C(=O)[O-])no1.[K+]
InChIInChI=1S/C5H6N2O3.K/c1-2-3-6-4(5(8)9)7-10-3;/h2H2,1H3,(H,8,9);/q;+1/p-1
InChIKeyJBQAQTVQHWDCFR-UHFFFAOYSA-M
MW180.20 g/mol
LogP-4.00
Rot. Bonds2

About potassium 5-ethyl-1,2,4-oxadiazole-3-carboxylate

potassium 5-ethyl-1,2,4-oxadiazole-3-carboxylate (PubChem CID 75481271) has the molecular formula C5H5KN2O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is potassium 5-ethyl-1,2,4-oxadiazole-3-carboxylate.

Molecular Properties

Compound Namepotassium 5-ethyl-1,2,4-oxadiazole-3-carboxylate
PubChem CID75481271
Molecular FormulaC5H5KN2O3
Molecular Weight180.20 g/mol
Exact Mass179.99
IUPAC Namepotassium 5-ethyl-1,2,4-oxadiazole-3-carboxylate
SMILESCCc1nc(C(=O)[O-])no1.[K+]
InChIInChI=1S/C5H6N2O3.K/c1-2-3-6-4(5(8)9)7-10-3;/h2H2,1H3,(H,8,9);/q;+1/p-1
InChIKeyJBQAQTVQHWDCFR-UHFFFAOYSA-M
XLogP-4.00
TPSA79.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 5-4.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of potassium 5-ethyl-1,2,4-oxadiazole-3-carboxylate?
The IUPAC name of potassium 5-ethyl-1,2,4-oxadiazole-3-carboxylate (CID 75481271) is potassium 5-ethyl-1,2,4-oxadiazole-3-carboxylate.
What is the SMILES notation for potassium 5-ethyl-1,2,4-oxadiazole-3-carboxylate?
The canonical SMILES for potassium 5-ethyl-1,2,4-oxadiazole-3-carboxylate is CCc1nc(C(=O)[O-])no1.[K+].
What is the InChIKey of potassium 5-ethyl-1,2,4-oxadiazole-3-carboxylate?
The InChIKey is JBQAQTVQHWDCFR-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H6N2O3.K/c1-2-3-6-4(5(8)9)7-10-3;/h2H2,1H3,(H,8,9);/q;+1/p-1.
What are the key properties of potassium 5-ethyl-1,2,4-oxadiazole-3-carboxylate?
potassium 5-ethyl-1,2,4-oxadiazole-3-carboxylate has a molecular weight of 180.20 g/mol, XLogP of -4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 5-ethyl-1,2,4-oxadiazole-3-carboxylate is sourced from PubChem (CID 75481271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).