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

C9H7LiN2O — CID 59501365

IUPAClithium 2-methyl-5-phenyl-1,3,4-oxadiazole
SMILESCc1nnc(-c2cc[c-]cc2)o1.[Li+]
InChIInChI=1S/C9H7N2O.Li/c1-7-10-11-9(12-7)8-5-3-2-4-6-8;/h3-6H,1H3;/q-1;+1
InChIKeyLRPHTWPVIGYIEH-UHFFFAOYSA-N
MW166.11 g/mol
LogP-1.15
Rot. Bonds1

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

lithium 2-methyl-5-phenyl-1,3,4-oxadiazole (PubChem CID 59501365) has the molecular formula C9H7LiN2O and a molecular weight of 166.11 g/mol. Its IUPAC name is lithium 2-methyl-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Namelithium 2-methyl-5-phenyl-1,3,4-oxadiazole
PubChem CID59501365
Molecular FormulaC9H7LiN2O
Molecular Weight166.11 g/mol
Exact Mass166.07
IUPAC Namelithium 2-methyl-5-phenyl-1,3,4-oxadiazole
SMILESCc1nnc(-c2cc[c-]cc2)o1.[Li+]
InChIInChI=1S/C9H7N2O.Li/c1-7-10-11-9(12-7)8-5-3-2-4-6-8;/h3-6H,1H3;/q-1;+1
InChIKeyLRPHTWPVIGYIEH-UHFFFAOYSA-N
XLogP-1.15
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.11
LogP ≤ 5-1.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium 2-methyl-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of lithium 2-methyl-5-phenyl-1,3,4-oxadiazole (CID 59501365) is lithium 2-methyl-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for lithium 2-methyl-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for lithium 2-methyl-5-phenyl-1,3,4-oxadiazole is Cc1nnc(-c2cc[c-]cc2)o1.[Li+].
What is the InChIKey of lithium 2-methyl-5-phenyl-1,3,4-oxadiazole?
The InChIKey is LRPHTWPVIGYIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N2O.Li/c1-7-10-11-9(12-7)8-5-3-2-4-6-8;/h3-6H,1H3;/q-1;+1.
What are the key properties of lithium 2-methyl-5-phenyl-1,3,4-oxadiazole?
lithium 2-methyl-5-phenyl-1,3,4-oxadiazole has a molecular weight of 166.11 g/mol, XLogP of -1.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-methyl-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 59501365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).