potassium 5-methyl-1,2-oxazol-3-olate

C4H4KNO2 — CID 23697409

IUPACpotassium 5-methyl-1,2-oxazol-3-olate
SMILESCc1cc([O-])no1.[K+]
InChIInChI=1S/C4H5NO2.K/c1-3-2-4(6)5-7-3;/h2H,1H3,(H,5,6);/q;+1/p-1
InChIKeyMLKWHMVAJLAVRH-UHFFFAOYSA-M
MW137.18 g/mol
LogP-2.94
Rot. Bonds

About potassium 5-methyl-1,2-oxazol-3-olate

potassium 5-methyl-1,2-oxazol-3-olate (PubChem CID 23697409) has the molecular formula C4H4KNO2 and a molecular weight of 137.18 g/mol. Its IUPAC name is potassium 5-methyl-1,2-oxazol-3-olate.

Molecular Properties

Compound Namepotassium 5-methyl-1,2-oxazol-3-olate
PubChem CID23697409
Molecular FormulaC4H4KNO2
Molecular Weight137.18 g/mol
Exact Mass136.99
IUPAC Namepotassium 5-methyl-1,2-oxazol-3-olate
SMILESCc1cc([O-])no1.[K+]
InChIInChI=1S/C4H5NO2.K/c1-3-2-4(6)5-7-3;/h2H,1H3,(H,5,6);/q;+1/p-1
InChIKeyMLKWHMVAJLAVRH-UHFFFAOYSA-M
XLogP-2.94
TPSA49.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 5-2.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dimethyl-1,2-oxazole;methane
CID 162114046
3-chloro-5-methyl-1,2-oxazole;ethane
CID 168950747
N-(5-methyl-1,2-oxazol-3-yl)hydroxylamine
CID 172819404
3-isocyano-5-methyl-1,2-oxazole
CID 83478513
CID 89270748
CID 89270748
hydroxylamine;5-methyl-1,2-oxazol-3-amine;hydrochloride
CID 174888282
3-(1-iodoethyl)-5-methyl-1,2-oxazole
CID 122594172
ethane;1-(5-methyl-1,2-oxazol-3-yl)ethanone
CID 144886330
N-methoxy-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 45099367
3-(1-chlorocyclopropyl)-5-methyl-1,2-oxazole
CID 135170631
3-butyl-5-methyl-1,2-oxazole
CID 19872036
(5-methyl-1,2-oxazol-3-yl)methylhydrazine
CID 66157923

Frequently Asked Questions

What is the IUPAC name of potassium 5-methyl-1,2-oxazol-3-olate?
The IUPAC name of potassium 5-methyl-1,2-oxazol-3-olate (CID 23697409) is potassium 5-methyl-1,2-oxazol-3-olate.
What is the SMILES notation for potassium 5-methyl-1,2-oxazol-3-olate?
The canonical SMILES for potassium 5-methyl-1,2-oxazol-3-olate is Cc1cc([O-])no1.[K+].
What is the InChIKey of potassium 5-methyl-1,2-oxazol-3-olate?
The InChIKey is MLKWHMVAJLAVRH-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H5NO2.K/c1-3-2-4(6)5-7-3;/h2H,1H3,(H,5,6);/q;+1/p-1.
What are the key properties of potassium 5-methyl-1,2-oxazol-3-olate?
potassium 5-methyl-1,2-oxazol-3-olate has a molecular weight of 137.18 g/mol, XLogP of -2.94, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 5-methyl-1,2-oxazol-3-olate is sourced from PubChem (CID 23697409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).