lithium 5-(hydroxymethyl)-1,3-oxazole-2-carboxylate

C5H4LiNO4 — CID 178200459

IUPAClithium 5-(hydroxymethyl)-1,3-oxazole-2-carboxylate
SMILESO=C([O-])c1ncc(CO)o1.[Li+]
InChIInChI=1S/C5H5NO4.Li/c7-2-3-1-6-4(10-3)5(8)9;/h1,7H,2H2,(H,8,9);/q;+1/p-1
InChIKeyZFSQCMXNQALQBX-UHFFFAOYSA-M
MW149.03 g/mol
LogP-4.47
Rot. Bonds2

About lithium 5-(hydroxymethyl)-1,3-oxazole-2-carboxylate

lithium 5-(hydroxymethyl)-1,3-oxazole-2-carboxylate (PubChem CID 178200459) has the molecular formula C5H4LiNO4 and a molecular weight of 149.03 g/mol. Its IUPAC name is lithium 5-(hydroxymethyl)-1,3-oxazole-2-carboxylate.

Molecular Properties

Compound Namelithium 5-(hydroxymethyl)-1,3-oxazole-2-carboxylate
PubChem CID178200459
Molecular FormulaC5H4LiNO4
Molecular Weight149.03 g/mol
Exact Mass149.03
IUPAC Namelithium 5-(hydroxymethyl)-1,3-oxazole-2-carboxylate
SMILESO=C([O-])c1ncc(CO)o1.[Li+]
InChIInChI=1S/C5H5NO4.Li/c7-2-3-1-6-4(10-3)5(8)9;/h1,7H,2H2,(H,8,9);/q;+1/p-1
InChIKeyZFSQCMXNQALQBX-UHFFFAOYSA-M
XLogP-4.47
TPSA86.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.03
LogP ≤ 5-4.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of lithium 5-(hydroxymethyl)-1,3-oxazole-2-carboxylate?
The IUPAC name of lithium 5-(hydroxymethyl)-1,3-oxazole-2-carboxylate (CID 178200459) is lithium 5-(hydroxymethyl)-1,3-oxazole-2-carboxylate.
What is the SMILES notation for lithium 5-(hydroxymethyl)-1,3-oxazole-2-carboxylate?
The canonical SMILES for lithium 5-(hydroxymethyl)-1,3-oxazole-2-carboxylate is O=C([O-])c1ncc(CO)o1.[Li+].
What is the InChIKey of lithium 5-(hydroxymethyl)-1,3-oxazole-2-carboxylate?
The InChIKey is ZFSQCMXNQALQBX-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H5NO4.Li/c7-2-3-1-6-4(10-3)5(8)9;/h1,7H,2H2,(H,8,9);/q;+1/p-1.
What are the key properties of lithium 5-(hydroxymethyl)-1,3-oxazole-2-carboxylate?
lithium 5-(hydroxymethyl)-1,3-oxazole-2-carboxylate has a molecular weight of 149.03 g/mol, XLogP of -4.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 5-(hydroxymethyl)-1,3-oxazole-2-carboxylate is sourced from PubChem (CID 178200459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).