potassium;5-tert-butyl-1,2,4-oxadiazole-3-carboxylic acid;hydride

C7H11KN2O3 — CID 175462514

IUPACpotassium;5-tert-butyl-1,2,4-oxadiazole-3-carboxylic acid;hydride
SMILESCC(C)(C)c1nc(C(=O)O)no1.[H-].[K+]
InChIInChI=1S/C7H10N2O3.K.H/c1-7(2,3)6-8-4(5(10)11)9-12-6;;/h1-3H3,(H,10,11);;/q;+1;-1
InChIKeyMTTLACHBMIXJFW-UHFFFAOYSA-N
MW210.27 g/mol
LogP-1.82
Rot. Bonds1

About potassium;5-tert-butyl-1,2,4-oxadiazole-3-carboxylic acid;hydride

potassium;5-tert-butyl-1,2,4-oxadiazole-3-carboxylic acid;hydride (PubChem CID 175462514) has the molecular formula C7H11KN2O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is potassium;5-tert-butyl-1,2,4-oxadiazole-3-carboxylic acid;hydride.

Molecular Properties

Compound Namepotassium;5-tert-butyl-1,2,4-oxadiazole-3-carboxylic acid;hydride
PubChem CID175462514
Molecular FormulaC7H11KN2O3
Molecular Weight210.27 g/mol
Exact Mass210.04
IUPAC Namepotassium;5-tert-butyl-1,2,4-oxadiazole-3-carboxylic acid;hydride
SMILESCC(C)(C)c1nc(C(=O)O)no1.[H-].[K+]
InChIInChI=1S/C7H10N2O3.K.H/c1-7(2,3)6-8-4(5(10)11)9-12-6;;/h1-3H3,(H,10,11);;/q;+1;-1
InChIKeyMTTLACHBMIXJFW-UHFFFAOYSA-N
XLogP-1.82
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 5-1.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of potassium;5-tert-butyl-1,2,4-oxadiazole-3-carboxylic acid;hydride?
The IUPAC name of potassium;5-tert-butyl-1,2,4-oxadiazole-3-carboxylic acid;hydride (CID 175462514) is potassium;5-tert-butyl-1,2,4-oxadiazole-3-carboxylic acid;hydride.
What is the SMILES notation for potassium;5-tert-butyl-1,2,4-oxadiazole-3-carboxylic acid;hydride?
The canonical SMILES for potassium;5-tert-butyl-1,2,4-oxadiazole-3-carboxylic acid;hydride is CC(C)(C)c1nc(C(=O)O)no1.[H-].[K+].
What is the InChIKey of potassium;5-tert-butyl-1,2,4-oxadiazole-3-carboxylic acid;hydride?
The InChIKey is MTTLACHBMIXJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3.K.H/c1-7(2,3)6-8-4(5(10)11)9-12-6;;/h1-3H3,(H,10,11);;/q;+1;-1.
What are the key properties of potassium;5-tert-butyl-1,2,4-oxadiazole-3-carboxylic acid;hydride?
potassium;5-tert-butyl-1,2,4-oxadiazole-3-carboxylic acid;hydride has a molecular weight of 210.27 g/mol, XLogP of -1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;5-tert-butyl-1,2,4-oxadiazole-3-carboxylic acid;hydride is sourced from PubChem (CID 175462514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).