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

C6H5KN2O3 — CID 122164382

IUPACpotassium 5-cyclopropyl-1,3,4-oxadiazole-2-carboxylate
SMILESO=C([O-])c1nnc(C2CC2)o1.[K+]
InChIInChI=1S/C6H6N2O3.K/c9-6(10)5-8-7-4(11-5)3-1-2-3;/h3H,1-2H2,(H,9,10);/q;+1/p-1
InChIKeyHPJZNCOTZFSJNL-UHFFFAOYSA-M
MW192.21 g/mol
LogP-3.69
Rot. Bonds2

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

potassium 5-cyclopropyl-1,3,4-oxadiazole-2-carboxylate (PubChem CID 122164382) has the molecular formula C6H5KN2O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is potassium 5-cyclopropyl-1,3,4-oxadiazole-2-carboxylate.

Molecular Properties

Compound Namepotassium 5-cyclopropyl-1,3,4-oxadiazole-2-carboxylate
PubChem CID122164382
Molecular FormulaC6H5KN2O3
Molecular Weight192.21 g/mol
Exact Mass191.99
IUPAC Namepotassium 5-cyclopropyl-1,3,4-oxadiazole-2-carboxylate
SMILESO=C([O-])c1nnc(C2CC2)o1.[K+]
InChIInChI=1S/C6H6N2O3.K/c9-6(10)5-8-7-4(11-5)3-1-2-3;/h3H,1-2H2,(H,9,10);/q;+1/p-1
InChIKeyHPJZNCOTZFSJNL-UHFFFAOYSA-M
XLogP-3.69
TPSA79.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 5-3.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of potassium 5-cyclopropyl-1,3,4-oxadiazole-2-carboxylate?
The IUPAC name of potassium 5-cyclopropyl-1,3,4-oxadiazole-2-carboxylate (CID 122164382) is potassium 5-cyclopropyl-1,3,4-oxadiazole-2-carboxylate.
What is the SMILES notation for potassium 5-cyclopropyl-1,3,4-oxadiazole-2-carboxylate?
The canonical SMILES for potassium 5-cyclopropyl-1,3,4-oxadiazole-2-carboxylate is O=C([O-])c1nnc(C2CC2)o1.[K+].
What is the InChIKey of potassium 5-cyclopropyl-1,3,4-oxadiazole-2-carboxylate?
The InChIKey is HPJZNCOTZFSJNL-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H6N2O3.K/c9-6(10)5-8-7-4(11-5)3-1-2-3;/h3H,1-2H2,(H,9,10);/q;+1/p-1.
What are the key properties of potassium 5-cyclopropyl-1,3,4-oxadiazole-2-carboxylate?
potassium 5-cyclopropyl-1,3,4-oxadiazole-2-carboxylate has a molecular weight of 192.21 g/mol, XLogP of -3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 5-cyclopropyl-1,3,4-oxadiazole-2-carboxylate is sourced from PubChem (CID 122164382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).