sodium 5-methoxy-1,2-oxazole-3-carboxylate

C5H4NNaO4 — CID 155821165

IUPACsodium 5-methoxy-1,2-oxazole-3-carboxylate
SMILESCOc1cc(C(=O)[O-])no1.[Na+]
InChIInChI=1S/C5H5NO4.Na/c1-9-4-2-3(5(7)8)6-10-4;/h2H,1H3,(H,7,8);/q;+1/p-1
InChIKeyIKMVQWNHOQOADH-UHFFFAOYSA-M
MW165.08 g/mol
LogP-3.95
Rot. Bonds2

About sodium 5-methoxy-1,2-oxazole-3-carboxylate

sodium 5-methoxy-1,2-oxazole-3-carboxylate (PubChem CID 155821165) has the molecular formula C5H4NNaO4 and a molecular weight of 165.08 g/mol. Its IUPAC name is sodium 5-methoxy-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Namesodium 5-methoxy-1,2-oxazole-3-carboxylate
PubChem CID155821165
Molecular FormulaC5H4NNaO4
Molecular Weight165.08 g/mol
Exact Mass165.00
IUPAC Namesodium 5-methoxy-1,2-oxazole-3-carboxylate
SMILESCOc1cc(C(=O)[O-])no1.[Na+]
InChIInChI=1S/C5H5NO4.Na/c1-9-4-2-3(5(7)8)6-10-4;/h2H,1H3,(H,7,8);/q;+1/p-1
InChIKeyIKMVQWNHOQOADH-UHFFFAOYSA-M
XLogP-3.95
TPSA75.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.08
LogP ≤ 5-3.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of sodium 5-methoxy-1,2-oxazole-3-carboxylate?
The IUPAC name of sodium 5-methoxy-1,2-oxazole-3-carboxylate (CID 155821165) is sodium 5-methoxy-1,2-oxazole-3-carboxylate.
What is the SMILES notation for sodium 5-methoxy-1,2-oxazole-3-carboxylate?
The canonical SMILES for sodium 5-methoxy-1,2-oxazole-3-carboxylate is COc1cc(C(=O)[O-])no1.[Na+].
What is the InChIKey of sodium 5-methoxy-1,2-oxazole-3-carboxylate?
The InChIKey is IKMVQWNHOQOADH-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H5NO4.Na/c1-9-4-2-3(5(7)8)6-10-4;/h2H,1H3,(H,7,8);/q;+1/p-1.
What are the key properties of sodium 5-methoxy-1,2-oxazole-3-carboxylate?
sodium 5-methoxy-1,2-oxazole-3-carboxylate has a molecular weight of 165.08 g/mol, XLogP of -3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 5-methoxy-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 155821165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).