5,6-diphenyloxadiazolo[5,4-b]pyridine

C17H11N3O — CID 140681171

IUPAC5,6-diphenyloxadiazolo[5,4-b]pyridine
SMILESc1ccc(-c2cc3nnoc3nc2-c2ccccc2)cc1
InChIInChI=1S/C17H11N3O/c1-3-7-12(8-4-1)14-11-15-17(21-20-19-15)18-16(14)13-9-5-2-6-10-13/h1-11H
InChIKeyMFRQEYVFUXSMBU-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.95
Rot. Bonds2

About 5,6-diphenyloxadiazolo[5,4-b]pyridine

5,6-diphenyloxadiazolo[5,4-b]pyridine (PubChem CID 140681171) has the molecular formula C17H11N3O and a molecular weight of 273.30 g/mol. Its IUPAC name is 5,6-diphenyloxadiazolo[5,4-b]pyridine.

Molecular Properties

Compound Name5,6-diphenyloxadiazolo[5,4-b]pyridine
PubChem CID140681171
Molecular FormulaC17H11N3O
Molecular Weight273.30 g/mol
Exact Mass273.09
IUPAC Name5,6-diphenyloxadiazolo[5,4-b]pyridine
SMILESc1ccc(-c2cc3nnoc3nc2-c2ccccc2)cc1
InChIInChI=1S/C17H11N3O/c1-3-7-12(8-4-1)14-11-15-17(21-20-19-15)18-16(14)13-9-5-2-6-10-13/h1-11H
InChIKeyMFRQEYVFUXSMBU-UHFFFAOYSA-N
XLogP3.95
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5,6-diphenyloxadiazolo[5,4-b]pyridine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,6-diphenyloxadiazolo[5,4-b]pyridine?
The IUPAC name of 5,6-diphenyloxadiazolo[5,4-b]pyridine (CID 140681171) is 5,6-diphenyloxadiazolo[5,4-b]pyridine.
What is the SMILES notation for 5,6-diphenyloxadiazolo[5,4-b]pyridine?
The canonical SMILES for 5,6-diphenyloxadiazolo[5,4-b]pyridine is c1ccc(-c2cc3nnoc3nc2-c2ccccc2)cc1.
What is the InChIKey of 5,6-diphenyloxadiazolo[5,4-b]pyridine?
The InChIKey is MFRQEYVFUXSMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3O/c1-3-7-12(8-4-1)14-11-15-17(21-20-19-15)18-16(14)13-9-5-2-6-10-13/h1-11H.
What are the key properties of 5,6-diphenyloxadiazolo[5,4-b]pyridine?
5,6-diphenyloxadiazolo[5,4-b]pyridine has a molecular weight of 273.30 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diphenyloxadiazolo[5,4-b]pyridine is sourced from PubChem (CID 140681171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).