potassium 4-methyl-1,3-oxazole-5-carboxylate

C5H4KNO3 — CID 46210407

IUPACpotassium 4-methyl-1,3-oxazole-5-carboxylate
SMILESCc1ncoc1C(=O)[O-].[K+]
InChIInChI=1S/C5H5NO3.K/c1-3-4(5(7)8)9-2-6-3;/h2H,1H3,(H,7,8);/q;+1/p-1
InChIKeyMSAVEWSJWQHLDJ-UHFFFAOYSA-M
MW165.19 g/mol
LogP-3.65
Rot. Bonds1

About potassium 4-methyl-1,3-oxazole-5-carboxylate

potassium 4-methyl-1,3-oxazole-5-carboxylate (PubChem CID 46210407) has the molecular formula C5H4KNO3 and a molecular weight of 165.19 g/mol. Its IUPAC name is potassium 4-methyl-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Namepotassium 4-methyl-1,3-oxazole-5-carboxylate
PubChem CID46210407
Molecular FormulaC5H4KNO3
Molecular Weight165.19 g/mol
Exact Mass164.98
IUPAC Namepotassium 4-methyl-1,3-oxazole-5-carboxylate
SMILESCc1ncoc1C(=O)[O-].[K+]
InChIInChI=1S/C5H5NO3.K/c1-3-4(5(7)8)9-2-6-3;/h2H,1H3,(H,7,8);/q;+1/p-1
InChIKeyMSAVEWSJWQHLDJ-UHFFFAOYSA-M
XLogP-3.65
TPSA66.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 5-3.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of potassium 4-methyl-1,3-oxazole-5-carboxylate?
The IUPAC name of potassium 4-methyl-1,3-oxazole-5-carboxylate (CID 46210407) is potassium 4-methyl-1,3-oxazole-5-carboxylate.
What is the SMILES notation for potassium 4-methyl-1,3-oxazole-5-carboxylate?
The canonical SMILES for potassium 4-methyl-1,3-oxazole-5-carboxylate is Cc1ncoc1C(=O)[O-].[K+].
What is the InChIKey of potassium 4-methyl-1,3-oxazole-5-carboxylate?
The InChIKey is MSAVEWSJWQHLDJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H5NO3.K/c1-3-4(5(7)8)9-2-6-3;/h2H,1H3,(H,7,8);/q;+1/p-1.
What are the key properties of potassium 4-methyl-1,3-oxazole-5-carboxylate?
potassium 4-methyl-1,3-oxazole-5-carboxylate has a molecular weight of 165.19 g/mol, XLogP of -3.65, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 4-methyl-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 46210407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).