lithium 5-methyl-1,3,4-oxadiazole-2-carboxylate

C4H3LiN2O3 — CID 169308353

IUPAClithium 5-methyl-1,3,4-oxadiazole-2-carboxylate
SMILESCc1nnc(C(=O)[O-])o1.[Li+]
InChIInChI=1S/C4H4N2O3.Li/c1-2-5-6-3(9-2)4(7)8;/h1H3,(H,7,8);/q;+1/p-1
InChIKeyUDZWJMISQAPVMI-UHFFFAOYSA-M
MW134.02 g/mol
LogP-4.25
Rot. Bonds1

About lithium 5-methyl-1,3,4-oxadiazole-2-carboxylate

lithium 5-methyl-1,3,4-oxadiazole-2-carboxylate (PubChem CID 169308353) has the molecular formula C4H3LiN2O3 and a molecular weight of 134.02 g/mol. Its IUPAC name is lithium 5-methyl-1,3,4-oxadiazole-2-carboxylate.

Molecular Properties

Compound Namelithium 5-methyl-1,3,4-oxadiazole-2-carboxylate
PubChem CID169308353
Molecular FormulaC4H3LiN2O3
Molecular Weight134.02 g/mol
Exact Mass134.03
IUPAC Namelithium 5-methyl-1,3,4-oxadiazole-2-carboxylate
SMILESCc1nnc(C(=O)[O-])o1.[Li+]
InChIInChI=1S/C4H4N2O3.Li/c1-2-5-6-3(9-2)4(7)8;/h1H3,(H,7,8);/q;+1/p-1
InChIKeyUDZWJMISQAPVMI-UHFFFAOYSA-M
XLogP-4.25
TPSA79.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.02
LogP ≤ 5-4.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of lithium 5-methyl-1,3,4-oxadiazole-2-carboxylate?
The IUPAC name of lithium 5-methyl-1,3,4-oxadiazole-2-carboxylate (CID 169308353) is lithium 5-methyl-1,3,4-oxadiazole-2-carboxylate.
What is the SMILES notation for lithium 5-methyl-1,3,4-oxadiazole-2-carboxylate?
The canonical SMILES for lithium 5-methyl-1,3,4-oxadiazole-2-carboxylate is Cc1nnc(C(=O)[O-])o1.[Li+].
What is the InChIKey of lithium 5-methyl-1,3,4-oxadiazole-2-carboxylate?
The InChIKey is UDZWJMISQAPVMI-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H4N2O3.Li/c1-2-5-6-3(9-2)4(7)8;/h1H3,(H,7,8);/q;+1/p-1.
What are the key properties of lithium 5-methyl-1,3,4-oxadiazole-2-carboxylate?
lithium 5-methyl-1,3,4-oxadiazole-2-carboxylate has a molecular weight of 134.02 g/mol, XLogP of -4.25, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 5-methyl-1,3,4-oxadiazole-2-carboxylate is sourced from PubChem (CID 169308353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).