potassium 1,3-benzoxazole-2-carboxylate

C8H4KNO3 — CID 71299239

IUPACpotassium 1,3-benzoxazole-2-carboxylate
SMILESO=C([O-])c1nc2ccccc2o1.[K+]
InChIInChI=1S/C8H5NO3.K/c10-8(11)7-9-5-3-1-2-4-6(5)12-7;/h1-4H,(H,10,11);/q;+1/p-1
InChIKeyBJRBWXXVOQASLD-UHFFFAOYSA-M
MW201.22 g/mol
LogP-2.80
Rot. Bonds1

About potassium 1,3-benzoxazole-2-carboxylate

potassium 1,3-benzoxazole-2-carboxylate (PubChem CID 71299239) has the molecular formula C8H4KNO3 and a molecular weight of 201.22 g/mol. Its IUPAC name is potassium 1,3-benzoxazole-2-carboxylate.

Molecular Properties

Compound Namepotassium 1,3-benzoxazole-2-carboxylate
PubChem CID71299239
Molecular FormulaC8H4KNO3
Molecular Weight201.22 g/mol
Exact Mass200.98
IUPAC Namepotassium 1,3-benzoxazole-2-carboxylate
SMILESO=C([O-])c1nc2ccccc2o1.[K+]
InChIInChI=1S/C8H5NO3.K/c10-8(11)7-9-5-3-1-2-4-6(5)12-7;/h1-4H,(H,10,11);/q;+1/p-1
InChIKeyBJRBWXXVOQASLD-UHFFFAOYSA-M
XLogP-2.80
TPSA66.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 5-2.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of potassium 1,3-benzoxazole-2-carboxylate?
The IUPAC name of potassium 1,3-benzoxazole-2-carboxylate (CID 71299239) is potassium 1,3-benzoxazole-2-carboxylate.
What is the SMILES notation for potassium 1,3-benzoxazole-2-carboxylate?
The canonical SMILES for potassium 1,3-benzoxazole-2-carboxylate is O=C([O-])c1nc2ccccc2o1.[K+].
What is the InChIKey of potassium 1,3-benzoxazole-2-carboxylate?
The InChIKey is BJRBWXXVOQASLD-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H5NO3.K/c10-8(11)7-9-5-3-1-2-4-6(5)12-7;/h1-4H,(H,10,11);/q;+1/p-1.
What are the key properties of potassium 1,3-benzoxazole-2-carboxylate?
potassium 1,3-benzoxazole-2-carboxylate has a molecular weight of 201.22 g/mol, XLogP of -2.80, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 1,3-benzoxazole-2-carboxylate is sourced from PubChem (CID 71299239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).