lithium 1,3-oxazole-2-carboxylate

C4H2LiNO3 — CID 134818514

IUPAClithium 1,3-oxazole-2-carboxylate
SMILESO=C([O-])c1ncco1.[Li+]
InChIInChI=1S/C4H3NO3.Li/c6-4(7)3-5-1-2-8-3;/h1-2H,(H,6,7);/q;+1/p-1
InChIKeySJWUBFWOUDJTQB-UHFFFAOYSA-M
MW119.00 g/mol
LogP-3.96
Rot. Bonds1

About lithium 1,3-oxazole-2-carboxylate

lithium 1,3-oxazole-2-carboxylate (PubChem CID 134818514) has the molecular formula C4H2LiNO3 and a molecular weight of 119.00 g/mol. Its IUPAC name is lithium 1,3-oxazole-2-carboxylate.

Molecular Properties

Compound Namelithium 1,3-oxazole-2-carboxylate
PubChem CID134818514
Molecular FormulaC4H2LiNO3
Molecular Weight119.00 g/mol
Exact Mass119.02
IUPAC Namelithium 1,3-oxazole-2-carboxylate
SMILESO=C([O-])c1ncco1.[Li+]
InChIInChI=1S/C4H3NO3.Li/c6-4(7)3-5-1-2-8-3;/h1-2H,(H,6,7);/q;+1/p-1
InChIKeySJWUBFWOUDJTQB-UHFFFAOYSA-M
XLogP-3.96
TPSA66.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.00
LogP ≤ 5-3.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of lithium 1,3-oxazole-2-carboxylate?
The IUPAC name of lithium 1,3-oxazole-2-carboxylate (CID 134818514) is lithium 1,3-oxazole-2-carboxylate.
What is the SMILES notation for lithium 1,3-oxazole-2-carboxylate?
The canonical SMILES for lithium 1,3-oxazole-2-carboxylate is O=C([O-])c1ncco1.[Li+].
What is the InChIKey of lithium 1,3-oxazole-2-carboxylate?
The InChIKey is SJWUBFWOUDJTQB-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H3NO3.Li/c6-4(7)3-5-1-2-8-3;/h1-2H,(H,6,7);/q;+1/p-1.
What are the key properties of lithium 1,3-oxazole-2-carboxylate?
lithium 1,3-oxazole-2-carboxylate has a molecular weight of 119.00 g/mol, XLogP of -3.96, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1,3-oxazole-2-carboxylate is sourced from PubChem (CID 134818514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).