potassium (3,5-dimethyl-1,2-oxazol-4-yl)-trifluoroboranuide

C5H6BF3KNO — CID 25212879

IUPACpotassium (3,5-dimethyl-1,2-oxazol-4-yl)-trifluoroboranuide
SMILESCc1noc(C)c1[B-](F)(F)F.[K+]
InChIInChI=1S/C5H6BF3NO.K/c1-3-5(6(7,8)9)4(2)11-10-3;/h1-2H3;/q-1;+1
InChIKeyRPKZLOBOOBEILR-UHFFFAOYSA-N
MW203.01 g/mol
LogP-1.65
Rot. Bonds1

About potassium (3,5-dimethyl-1,2-oxazol-4-yl)-trifluoroboranuide

potassium (3,5-dimethyl-1,2-oxazol-4-yl)-trifluoroboranuide (PubChem CID 25212879) has the molecular formula C5H6BF3KNO and a molecular weight of 203.01 g/mol. Its IUPAC name is potassium (3,5-dimethyl-1,2-oxazol-4-yl)-trifluoroboranuide.

Molecular Properties

Compound Namepotassium (3,5-dimethyl-1,2-oxazol-4-yl)-trifluoroboranuide
PubChem CID25212879
Molecular FormulaC5H6BF3KNO
Molecular Weight203.01 g/mol
Exact Mass203.01
IUPAC Namepotassium (3,5-dimethyl-1,2-oxazol-4-yl)-trifluoroboranuide
SMILESCc1noc(C)c1[B-](F)(F)F.[K+]
InChIInChI=1S/C5H6BF3NO.K/c1-3-5(6(7,8)9)4(2)11-10-3;/h1-2H3;/q-1;+1
InChIKeyRPKZLOBOOBEILR-UHFFFAOYSA-N
XLogP-1.65
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.01
LogP ≤ 5-1.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of potassium (3,5-dimethyl-1,2-oxazol-4-yl)-trifluoroboranuide?
The IUPAC name of potassium (3,5-dimethyl-1,2-oxazol-4-yl)-trifluoroboranuide (CID 25212879) is potassium (3,5-dimethyl-1,2-oxazol-4-yl)-trifluoroboranuide.
What is the SMILES notation for potassium (3,5-dimethyl-1,2-oxazol-4-yl)-trifluoroboranuide?
The canonical SMILES for potassium (3,5-dimethyl-1,2-oxazol-4-yl)-trifluoroboranuide is Cc1noc(C)c1[B-](F)(F)F.[K+].
What is the InChIKey of potassium (3,5-dimethyl-1,2-oxazol-4-yl)-trifluoroboranuide?
The InChIKey is RPKZLOBOOBEILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BF3NO.K/c1-3-5(6(7,8)9)4(2)11-10-3;/h1-2H3;/q-1;+1.
What are the key properties of potassium (3,5-dimethyl-1,2-oxazol-4-yl)-trifluoroboranuide?
potassium (3,5-dimethyl-1,2-oxazol-4-yl)-trifluoroboranuide has a molecular weight of 203.01 g/mol, XLogP of -1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (3,5-dimethyl-1,2-oxazol-4-yl)-trifluoroboranuide is sourced from PubChem (CID 25212879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).