potassium 5-tert-butyl-1,3,4-oxadiazole-2-carboxylate

C7H9KN2O3 — CID 135355952

IUPACpotassium 5-tert-butyl-1,3,4-oxadiazole-2-carboxylate
SMILESCC(C)(C)c1nnc(C(=O)[O-])o1.[K+]
InChIInChI=1S/C7H10N2O3.K/c1-7(2,3)6-9-8-4(12-6)5(10)11;/h1-3H3,(H,10,11);/q;+1/p-1
InChIKeyPEBNVISHTWMUMV-UHFFFAOYSA-M
MW208.26 g/mol
LogP-3.27
Rot. Bonds1

About potassium 5-tert-butyl-1,3,4-oxadiazole-2-carboxylate

potassium 5-tert-butyl-1,3,4-oxadiazole-2-carboxylate (PubChem CID 135355952) has the molecular formula C7H9KN2O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is potassium 5-tert-butyl-1,3,4-oxadiazole-2-carboxylate.

Molecular Properties

Compound Namepotassium 5-tert-butyl-1,3,4-oxadiazole-2-carboxylate
PubChem CID135355952
Molecular FormulaC7H9KN2O3
Molecular Weight208.26 g/mol
Exact Mass208.03
IUPAC Namepotassium 5-tert-butyl-1,3,4-oxadiazole-2-carboxylate
SMILESCC(C)(C)c1nnc(C(=O)[O-])o1.[K+]
InChIInChI=1S/C7H10N2O3.K/c1-7(2,3)6-9-8-4(12-6)5(10)11;/h1-3H3,(H,10,11);/q;+1/p-1
InChIKeyPEBNVISHTWMUMV-UHFFFAOYSA-M
XLogP-3.27
TPSA79.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 5-3.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze potassium 5-tert-butyl-1,3,4-oxadiazole-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of potassium 5-tert-butyl-1,3,4-oxadiazole-2-carboxylate?
The IUPAC name of potassium 5-tert-butyl-1,3,4-oxadiazole-2-carboxylate (CID 135355952) is potassium 5-tert-butyl-1,3,4-oxadiazole-2-carboxylate.
What is the SMILES notation for potassium 5-tert-butyl-1,3,4-oxadiazole-2-carboxylate?
The canonical SMILES for potassium 5-tert-butyl-1,3,4-oxadiazole-2-carboxylate is CC(C)(C)c1nnc(C(=O)[O-])o1.[K+].
What is the InChIKey of potassium 5-tert-butyl-1,3,4-oxadiazole-2-carboxylate?
The InChIKey is PEBNVISHTWMUMV-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H10N2O3.K/c1-7(2,3)6-9-8-4(12-6)5(10)11;/h1-3H3,(H,10,11);/q;+1/p-1.
What are the key properties of potassium 5-tert-butyl-1,3,4-oxadiazole-2-carboxylate?
potassium 5-tert-butyl-1,3,4-oxadiazole-2-carboxylate has a molecular weight of 208.26 g/mol, XLogP of -3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 5-tert-butyl-1,3,4-oxadiazole-2-carboxylate is sourced from PubChem (CID 135355952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).