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

C4H3KN2O3 — CID 24820502

IUPACpotassium 5-methyl-1,3,4-oxadiazole-2-carboxylate
SMILESCc1nnc(C(=O)[O-])o1.[K+]
InChIInChI=1S/C4H4N2O3.K/c1-2-5-6-3(9-2)4(7)8;/h1H3,(H,7,8);/q;+1/p-1
InChIKeyBRHMYHXNUGVBCU-UHFFFAOYSA-M
MW166.18 g/mol
LogP-4.25
Rot. Bonds1

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

potassium 5-methyl-1,3,4-oxadiazole-2-carboxylate (PubChem CID 24820502) has the molecular formula C4H3KN2O3 and a molecular weight of 166.18 g/mol. Its IUPAC name is potassium 5-methyl-1,3,4-oxadiazole-2-carboxylate.

Molecular Properties

Compound Namepotassium 5-methyl-1,3,4-oxadiazole-2-carboxylate
PubChem CID24820502
Molecular FormulaC4H3KN2O3
Molecular Weight166.18 g/mol
Exact Mass165.98
IUPAC Namepotassium 5-methyl-1,3,4-oxadiazole-2-carboxylate
SMILESCc1nnc(C(=O)[O-])o1.[K+]
InChIInChI=1S/C4H4N2O3.K/c1-2-5-6-3(9-2)4(7)8;/h1H3,(H,7,8);/q;+1/p-1
InChIKeyBRHMYHXNUGVBCU-UHFFFAOYSA-M
XLogP-4.25
TPSA79.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 5-4.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of potassium 5-methyl-1,3,4-oxadiazole-2-carboxylate?
The IUPAC name of potassium 5-methyl-1,3,4-oxadiazole-2-carboxylate (CID 24820502) is potassium 5-methyl-1,3,4-oxadiazole-2-carboxylate.
What is the SMILES notation for potassium 5-methyl-1,3,4-oxadiazole-2-carboxylate?
The canonical SMILES for potassium 5-methyl-1,3,4-oxadiazole-2-carboxylate is Cc1nnc(C(=O)[O-])o1.[K+].
What is the InChIKey of potassium 5-methyl-1,3,4-oxadiazole-2-carboxylate?
The InChIKey is BRHMYHXNUGVBCU-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H4N2O3.K/c1-2-5-6-3(9-2)4(7)8;/h1H3,(H,7,8);/q;+1/p-1.
What are the key properties of potassium 5-methyl-1,3,4-oxadiazole-2-carboxylate?
potassium 5-methyl-1,3,4-oxadiazole-2-carboxylate has a molecular weight of 166.18 g/mol, XLogP of -4.25, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 5-methyl-1,3,4-oxadiazole-2-carboxylate is sourced from PubChem (CID 24820502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).