dilithium;1-(5-benzyl-1,3,4-oxadiazol-2-yl)ethanone;(5-benzyl-1,3,4-oxadiazol-2-yl)methanone;methanol;dihydroxide;hydrate

C22H25Li2N4O8- — CID 158124907

About dilithium;1-(5-benzyl-1,3,4-oxadiazol-2-yl)ethanone;(5-benzyl-1,3,4-oxadiazol-2-yl)methanone;methanol;dihydroxide;hydrate

dilithium;1-(5-benzyl-1,3,4-oxadiazol-2-yl)ethanone;(5-benzyl-1,3,4-oxadiazol-2-yl)methanone;methanol;dihydroxide;hydrate (PubChem CID 158124907) has the molecular formula C22H25Li2N4O8- and a molecular weight of 487.34 g/mol. Its IUPAC name is dilithium;1-(5-benzyl-1,3,4-oxadiazol-2-yl)ethanone;(5-benzyl-1,3,4-oxadiazol-2-yl)methanone;methanol;dihydroxide;hydrate.

Molecular Properties

• Compound Name: dilithium;1-(5-benzyl-1,3,4-oxadiazol-2-yl)ethanone;(5-benzyl-1,3,4-oxadiazol-2-yl)methanone;methanol;dihydroxide;hydrate
• PubChem CID: 158124907
• Molecular Formula: C22H25Li2N4O8-
• Molecular Weight: 487.34 g/mol
• Exact Mass: 487.20
• IUPAC Name: dilithium;1-(5-benzyl-1,3,4-oxadiazol-2-yl)ethanone;(5-benzyl-1,3,4-oxadiazol-2-yl)methanone;methanol;dihydroxide;hydrate
• SMILES: CC(=O)c1nnc(Cc2ccccc2)o1.CO.O.O=[C-]c1nnc(Cc2ccccc2)o1.[Li+].[Li+].[OH-].[OH-]
• InChI: InChI=1S/C11H10N2O2.C10H7N2O2.CH4O.2Li.3H2O/c1-8(14)11-13-12-10(15-11)7-9-5-3-2-4-6-9;13-7-10-12-11-9(14-10)6-8-4-2-1-3-5-8;1-2;;;;;/h2-6H,7H2,1H3;1-5H,6H2;2H,1H3;;;3*1H2/q;-1;;2*+1;;;/p-2
• InChIKey: ZNIJYZFDQCKLBL-UHFFFAOYSA-L
• XLogP: -4.58
• TPSA: 223.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	487.34
LogP ≤ 5	-4.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dilithium;1-(5-benzyl-1,3,4-oxadiazol-2-yl)ethanone;(5-benzyl-1,3,4-oxadiazol-2-yl)methanone;methanol;dihydroxide;hydrate?

The IUPAC name of dilithium;1-(5-benzyl-1,3,4-oxadiazol-2-yl)ethanone;(5-benzyl-1,3,4-oxadiazol-2-yl)methanone;methanol;dihydroxide;hydrate (CID 158124907) is dilithium;1-(5-benzyl-1,3,4-oxadiazol-2-yl)ethanone;(5-benzyl-1,3,4-oxadiazol-2-yl)methanone;methanol;dihydroxide;hydrate.

What is the SMILES notation for dilithium;1-(5-benzyl-1,3,4-oxadiazol-2-yl)ethanone;(5-benzyl-1,3,4-oxadiazol-2-yl)methanone;methanol;dihydroxide;hydrate?

The canonical SMILES for dilithium;1-(5-benzyl-1,3,4-oxadiazol-2-yl)ethanone;(5-benzyl-1,3,4-oxadiazol-2-yl)methanone;methanol;dihydroxide;hydrate is CC(=O)c1nnc(Cc2ccccc2)o1.CO.O.O=[C-]c1nnc(Cc2ccccc2)o1.[Li+].[Li+].[OH-].[OH-].

What is the InChIKey of dilithium;1-(5-benzyl-1,3,4-oxadiazol-2-yl)ethanone;(5-benzyl-1,3,4-oxadiazol-2-yl)methanone;methanol;dihydroxide;hydrate?

The InChIKey is ZNIJYZFDQCKLBL-UHFFFAOYSA-L. The full InChI is InChI=1S/C11H10N2O2.C10H7N2O2.CH4O.2Li.3H2O/c1-8(14)11-13-12-10(15-11)7-9-5-3-2-4-6-9;13-7-10-12-11-9(14-10)6-8-4-2-1-3-5-8;1-2;;;;;/h2-6H,7H2,1H3;1-5H,6H2;2H,1H3;;;3*1H2/q;-1;;2*+1;;;/p-2.

What are the key properties of dilithium;1-(5-benzyl-1,3,4-oxadiazol-2-yl)ethanone;(5-benzyl-1,3,4-oxadiazol-2-yl)methanone;methanol;dihydroxide;hydrate?

dilithium;1-(5-benzyl-1,3,4-oxadiazol-2-yl)ethanone;(5-benzyl-1,3,4-oxadiazol-2-yl)methanone;methanol;dihydroxide;hydrate has a molecular weight of 487.34 g/mol, XLogP of -4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for dilithium;1-(5-benzyl-1,3,4-oxadiazol-2-yl)ethanone;(5-benzyl-1,3,4-oxadiazol-2-yl)methanone;methanol;dihydroxide;hydrate is sourced from PubChem (CID 158124907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).