2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole

C17H14N4OS — CID 7114118

IUPAC2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole
SMILESCc1cccc2nc(CSc3nnc(-c4ccccc4)o3)cn12
InChIInChI=1S/C17H14N4OS/c1-12-6-5-9-15-18-14(10-21(12)15)11-23-17-20-19-16(22-17)13-7-3-2-4-8-13/h2-10H,11H2,1H3
InChIKeyNCCKLEDMYIPFAD-UHFFFAOYSA-N
MW322.39 g/mol
LogP3.99
Rot. Bonds4

About 2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole

2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 7114118) has the molecular formula C17H14N4OS and a molecular weight of 322.39 g/mol. Its IUPAC name is 2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole
PubChem CID7114118
Molecular FormulaC17H14N4OS
Molecular Weight322.39 g/mol
Exact Mass322.09
IUPAC Name2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole
SMILESCc1cccc2nc(CSc3nnc(-c4ccccc4)o3)cn12
InChIInChI=1S/C17H14N4OS/c1-12-6-5-9-15-18-14(10-21(12)15)11-23-17-20-19-16(22-17)13-7-3-2-4-8-13/h2-10H,11H2,1H3
InChIKeyNCCKLEDMYIPFAD-UHFFFAOYSA-N
XLogP3.99
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole 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 2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole (CID 7114118) is 2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole is Cc1cccc2nc(CSc3nnc(-c4ccccc4)o3)cn12.
What is the InChIKey of 2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is NCCKLEDMYIPFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4OS/c1-12-6-5-9-15-18-14(10-21(12)15)11-23-17-20-19-16(22-17)13-7-3-2-4-8-13/h2-10H,11H2,1H3.
What are the key properties of 2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole?
2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 322.39 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 7114118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).