2-(4-methylphenyl)-5-[[4-[4-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)phenyl]-2-pyridinyl]methylsulfanyl]-1,3,4-oxadiazole

C24H19N5O4S2 — CID 138670553

About 2-(4-methylphenyl)-5-[[4-[4-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)phenyl]-2-pyridinyl]methylsulfanyl]-1,3,4-oxadiazole

2-(4-methylphenyl)-5-[[4-[4-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)phenyl]-2-pyridinyl]methylsulfanyl]-1,3,4-oxadiazole (PubChem CID 138670553) has the molecular formula C24H19N5O4S2 and a molecular weight of 505.58 g/mol. Its IUPAC name is 2-(4-methylphenyl)-5-[[4-[4-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)phenyl]-2-pyridinyl]methylsulfanyl]-1,3,4-oxadiazole.

Molecular Properties

• Compound Name: 2-(4-methylphenyl)-5-[[4-[4-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)phenyl]-2-pyridinyl]methylsulfanyl]-1,3,4-oxadiazole
• PubChem CID: 138670553
• Molecular Formula: C24H19N5O4S2
• Molecular Weight: 505.58 g/mol
• Exact Mass: 505.09
• IUPAC Name: 2-(4-methylphenyl)-5-[[4-[4-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)phenyl]-2-pyridinyl]methylsulfanyl]-1,3,4-oxadiazole
• SMILES: Cc1ccc(-c2nnc(SCc3cc(-c4ccc(-c5nnc(S(C)(=O)=O)o5)cc4)ccn3)o2)cc1
• InChI: InChI=1S/C24H19N5O4S2/c1-15-3-5-17(6-4-15)21-26-28-23(32-21)34-14-20-13-19(11-12-25-20)16-7-9-18(10-8-16)22-27-29-24(33-22)35(2,30)31/h3-13H,14H2,1-2H3
• InChIKey: QWYVZENRRSGBEY-UHFFFAOYSA-N
• XLogP: 4.85
• TPSA: 124.87 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.58
LogP ≤ 5	4.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-5-[[4-[4-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)phenyl]-2-pyridinyl]methylsulfanyl]-1,3,4-oxadiazole?

The IUPAC name of 2-(4-methylphenyl)-5-[[4-[4-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)phenyl]-2-pyridinyl]methylsulfanyl]-1,3,4-oxadiazole (CID 138670553) is 2-(4-methylphenyl)-5-[[4-[4-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)phenyl]-2-pyridinyl]methylsulfanyl]-1,3,4-oxadiazole.

What is the SMILES notation for 2-(4-methylphenyl)-5-[[4-[4-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)phenyl]-2-pyridinyl]methylsulfanyl]-1,3,4-oxadiazole?

The canonical SMILES for 2-(4-methylphenyl)-5-[[4-[4-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)phenyl]-2-pyridinyl]methylsulfanyl]-1,3,4-oxadiazole is Cc1ccc(-c2nnc(SCc3cc(-c4ccc(-c5nnc(S(C)(=O)=O)o5)cc4)ccn3)o2)cc1.

What is the InChIKey of 2-(4-methylphenyl)-5-[[4-[4-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)phenyl]-2-pyridinyl]methylsulfanyl]-1,3,4-oxadiazole?

The InChIKey is QWYVZENRRSGBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O4S2/c1-15-3-5-17(6-4-15)21-26-28-23(32-21)34-14-20-13-19(11-12-25-20)16-7-9-18(10-8-16)22-27-29-24(33-22)35(2,30)31/h3-13H,14H2,1-2H3.

What are the key properties of 2-(4-methylphenyl)-5-[[4-[4-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)phenyl]-2-pyridinyl]methylsulfanyl]-1,3,4-oxadiazole?

2-(4-methylphenyl)-5-[[4-[4-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)phenyl]-2-pyridinyl]methylsulfanyl]-1,3,4-oxadiazole has a molecular weight of 505.58 g/mol, XLogP of 4.85, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-methylphenyl)-5-[[4-[4-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)phenyl]-2-pyridinyl]methylsulfanyl]-1,3,4-oxadiazole is sourced from PubChem (CID 138670553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).