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

C10H7LiN2O3 — CID 146155615

IUPAClithium 5-benzyl-1,3,4-oxadiazole-2-carboxylate
SMILESO=C([O-])c1nnc(Cc2ccccc2)o1.[Li+]
InChIInChI=1S/C10H8N2O3.Li/c13-10(14)9-12-11-8(15-9)6-7-4-2-1-3-5-7;/h1-5H,6H2,(H,13,14);/q;+1/p-1
InChIKeyOGUCRJJJTZBLGU-UHFFFAOYSA-M
MW210.12 g/mol
LogP-2.97
Rot. Bonds3

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

lithium 5-benzyl-1,3,4-oxadiazole-2-carboxylate (PubChem CID 146155615) has the molecular formula C10H7LiN2O3 and a molecular weight of 210.12 g/mol. Its IUPAC name is lithium 5-benzyl-1,3,4-oxadiazole-2-carboxylate.

Molecular Properties

Compound Namelithium 5-benzyl-1,3,4-oxadiazole-2-carboxylate
PubChem CID146155615
Molecular FormulaC10H7LiN2O3
Molecular Weight210.12 g/mol
Exact Mass210.06
IUPAC Namelithium 5-benzyl-1,3,4-oxadiazole-2-carboxylate
SMILESO=C([O-])c1nnc(Cc2ccccc2)o1.[Li+]
InChIInChI=1S/C10H8N2O3.Li/c13-10(14)9-12-11-8(15-9)6-7-4-2-1-3-5-7;/h1-5H,6H2,(H,13,14);/q;+1/p-1
InChIKeyOGUCRJJJTZBLGU-UHFFFAOYSA-M
XLogP-2.97
TPSA79.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.12
LogP ≤ 5-2.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of lithium 5-benzyl-1,3,4-oxadiazole-2-carboxylate?
The IUPAC name of lithium 5-benzyl-1,3,4-oxadiazole-2-carboxylate (CID 146155615) is lithium 5-benzyl-1,3,4-oxadiazole-2-carboxylate.
What is the SMILES notation for lithium 5-benzyl-1,3,4-oxadiazole-2-carboxylate?
The canonical SMILES for lithium 5-benzyl-1,3,4-oxadiazole-2-carboxylate is O=C([O-])c1nnc(Cc2ccccc2)o1.[Li+].
What is the InChIKey of lithium 5-benzyl-1,3,4-oxadiazole-2-carboxylate?
The InChIKey is OGUCRJJJTZBLGU-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H8N2O3.Li/c13-10(14)9-12-11-8(15-9)6-7-4-2-1-3-5-7;/h1-5H,6H2,(H,13,14);/q;+1/p-1.
What are the key properties of lithium 5-benzyl-1,3,4-oxadiazole-2-carboxylate?
lithium 5-benzyl-1,3,4-oxadiazole-2-carboxylate has a molecular weight of 210.12 g/mol, XLogP of -2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 5-benzyl-1,3,4-oxadiazole-2-carboxylate is sourced from PubChem (CID 146155615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).