potassium 2-(1,3-oxazol-5-yl)acetate

C5H4KNO3 — CID 138040195

IUPACpotassium 2-(1,3-oxazol-5-yl)acetate
SMILESO=C([O-])Cc1cnco1.[K+]
InChIInChI=1S/C5H5NO3.K/c7-5(8)1-4-2-6-3-9-4;/h2-3H,1H2,(H,7,8);/q;+1/p-1
InChIKeySZDXHONSBRUJIX-UHFFFAOYSA-M
MW165.19 g/mol
LogP-4.03
Rot. Bonds2

About potassium 2-(1,3-oxazol-5-yl)acetate

potassium 2-(1,3-oxazol-5-yl)acetate (PubChem CID 138040195) has the molecular formula C5H4KNO3 and a molecular weight of 165.19 g/mol. Its IUPAC name is potassium 2-(1,3-oxazol-5-yl)acetate.

Molecular Properties

Compound Namepotassium 2-(1,3-oxazol-5-yl)acetate
PubChem CID138040195
Molecular FormulaC5H4KNO3
Molecular Weight165.19 g/mol
Exact Mass164.98
IUPAC Namepotassium 2-(1,3-oxazol-5-yl)acetate
SMILESO=C([O-])Cc1cnco1.[K+]
InChIInChI=1S/C5H5NO3.K/c7-5(8)1-4-2-6-3-9-4;/h2-3H,1H2,(H,7,8);/q;+1/p-1
InChIKeySZDXHONSBRUJIX-UHFFFAOYSA-M
XLogP-4.03
TPSA66.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 5-4.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of potassium 2-(1,3-oxazol-5-yl)acetate?
The IUPAC name of potassium 2-(1,3-oxazol-5-yl)acetate (CID 138040195) is potassium 2-(1,3-oxazol-5-yl)acetate.
What is the SMILES notation for potassium 2-(1,3-oxazol-5-yl)acetate?
The canonical SMILES for potassium 2-(1,3-oxazol-5-yl)acetate is O=C([O-])Cc1cnco1.[K+].
What is the InChIKey of potassium 2-(1,3-oxazol-5-yl)acetate?
The InChIKey is SZDXHONSBRUJIX-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H5NO3.K/c7-5(8)1-4-2-6-3-9-4;/h2-3H,1H2,(H,7,8);/q;+1/p-1.
What are the key properties of potassium 2-(1,3-oxazol-5-yl)acetate?
potassium 2-(1,3-oxazol-5-yl)acetate has a molecular weight of 165.19 g/mol, XLogP of -4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-(1,3-oxazol-5-yl)acetate is sourced from PubChem (CID 138040195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).