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

C4H3LiN2O3 — CID 134690810

IUPAClithium 5-methyl-1,2,4-oxadiazole-3-carboxylate
SMILESCc1nc(C(=O)[O-])no1.[Li+]
InChIInChI=1S/C4H4N2O3.Li/c1-2-5-3(4(7)8)6-9-2;/h1H3,(H,7,8);/q;+1/p-1
InChIKeyPDGXBUGQQMGDFT-UHFFFAOYSA-M
MW134.02 g/mol
LogP-4.25
Rot. Bonds1

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

lithium 5-methyl-1,2,4-oxadiazole-3-carboxylate (PubChem CID 134690810) has the molecular formula C4H3LiN2O3 and a molecular weight of 134.02 g/mol. Its IUPAC name is lithium 5-methyl-1,2,4-oxadiazole-3-carboxylate.

Molecular Properties

Compound Namelithium 5-methyl-1,2,4-oxadiazole-3-carboxylate
PubChem CID134690810
Molecular FormulaC4H3LiN2O3
Molecular Weight134.02 g/mol
Exact Mass134.03
IUPAC Namelithium 5-methyl-1,2,4-oxadiazole-3-carboxylate
SMILESCc1nc(C(=O)[O-])no1.[Li+]
InChIInChI=1S/C4H4N2O3.Li/c1-2-5-3(4(7)8)6-9-2;/h1H3,(H,7,8);/q;+1/p-1
InChIKeyPDGXBUGQQMGDFT-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

Analyze lithium 5-methyl-1,2,4-oxadiazole-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(5-methyl-1,2,4-oxadiazol-3-yl)methanone
CID 90843715
1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-1-one
CID 142391615
potassium 5-amino-1,2,4-oxadiazole-3-carboxylate
CID 178200930
3-but-2-en-2-yl-5-methyl-1,2,4-oxadiazole
CID 123960870
potassium 5-(2-methylcyclopropyl)-1,2,4-oxadiazole-3-carboxylate
CID 75481336
N-(1-amino-3-methylbutan-2-yl)-5-methyl-1,2,4-oxadiazole-3-carboxamide
CID 65191352
N,N-dimethyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethenamine
CID 123763792
1-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]cyclopropane-1-carboxylic acid
CID 65452844
3-[(3E)-2,6-dimethylhepta-1,3,5-trien-4-yl]-5-methyl-1,2,4-oxadiazole
CID 138534842
(5-methyl-1,2,4-oxadiazol-3-yl)-(3-nitrophenyl)methanone
CID 24766083
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)-1-oxohexan-2-yl]formamide
CID 23586807
N-(3,3-dichlorocyclobutyl)-5-methyl-1,2,4-oxadiazole-3-carboxamide
CID 167767532

Frequently Asked Questions

What is the IUPAC name of lithium 5-methyl-1,2,4-oxadiazole-3-carboxylate?
The IUPAC name of lithium 5-methyl-1,2,4-oxadiazole-3-carboxylate (CID 134690810) is lithium 5-methyl-1,2,4-oxadiazole-3-carboxylate.
What is the SMILES notation for lithium 5-methyl-1,2,4-oxadiazole-3-carboxylate?
The canonical SMILES for lithium 5-methyl-1,2,4-oxadiazole-3-carboxylate is Cc1nc(C(=O)[O-])no1.[Li+].
What is the InChIKey of lithium 5-methyl-1,2,4-oxadiazole-3-carboxylate?
The InChIKey is PDGXBUGQQMGDFT-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H4N2O3.Li/c1-2-5-3(4(7)8)6-9-2;/h1H3,(H,7,8);/q;+1/p-1.
What are the key properties of lithium 5-methyl-1,2,4-oxadiazole-3-carboxylate?
lithium 5-methyl-1,2,4-oxadiazole-3-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-1,2,4-oxadiazole-3-carboxylate is sourced from PubChem (CID 134690810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).