potassium 5-tert-butyl-1,3-oxazole-2-carboxylate

C8H10KNO3 — CID 146081955

IUPACpotassium 5-tert-butyl-1,3-oxazole-2-carboxylate
SMILESCC(C)(C)c1cnc(C(=O)[O-])o1.[K+]
InChIInChI=1S/C8H11NO3.K/c1-8(2,3)5-4-9-6(12-5)7(10)11;/h4H,1-3H3,(H,10,11);/q;+1/p-1
InChIKeyWCDUCSALQUFJPH-UHFFFAOYSA-M
MW207.27 g/mol
LogP-2.66
Rot. Bonds1

About potassium 5-tert-butyl-1,3-oxazole-2-carboxylate

potassium 5-tert-butyl-1,3-oxazole-2-carboxylate (PubChem CID 146081955) has the molecular formula C8H10KNO3 and a molecular weight of 207.27 g/mol. Its IUPAC name is potassium 5-tert-butyl-1,3-oxazole-2-carboxylate.

Molecular Properties

Compound Namepotassium 5-tert-butyl-1,3-oxazole-2-carboxylate
PubChem CID146081955
Molecular FormulaC8H10KNO3
Molecular Weight207.27 g/mol
Exact Mass207.03
IUPAC Namepotassium 5-tert-butyl-1,3-oxazole-2-carboxylate
SMILESCC(C)(C)c1cnc(C(=O)[O-])o1.[K+]
InChIInChI=1S/C8H11NO3.K/c1-8(2,3)5-4-9-6(12-5)7(10)11;/h4H,1-3H3,(H,10,11);/q;+1/p-1
InChIKeyWCDUCSALQUFJPH-UHFFFAOYSA-M
XLogP-2.66
TPSA66.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 5-2.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of potassium 5-tert-butyl-1,3-oxazole-2-carboxylate?
The IUPAC name of potassium 5-tert-butyl-1,3-oxazole-2-carboxylate (CID 146081955) is potassium 5-tert-butyl-1,3-oxazole-2-carboxylate.
What is the SMILES notation for potassium 5-tert-butyl-1,3-oxazole-2-carboxylate?
The canonical SMILES for potassium 5-tert-butyl-1,3-oxazole-2-carboxylate is CC(C)(C)c1cnc(C(=O)[O-])o1.[K+].
What is the InChIKey of potassium 5-tert-butyl-1,3-oxazole-2-carboxylate?
The InChIKey is WCDUCSALQUFJPH-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H11NO3.K/c1-8(2,3)5-4-9-6(12-5)7(10)11;/h4H,1-3H3,(H,10,11);/q;+1/p-1.
What are the key properties of potassium 5-tert-butyl-1,3-oxazole-2-carboxylate?
potassium 5-tert-butyl-1,3-oxazole-2-carboxylate has a molecular weight of 207.27 g/mol, XLogP of -2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 5-tert-butyl-1,3-oxazole-2-carboxylate is sourced from PubChem (CID 146081955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).