2-(4-chlorophenyl)-5-[[6-methyl-4-[4-[5-(pyridin-2-ylmethoxy)-1,3,4-oxadiazol-2-yl]phenyl]-2-pyridinyl]methylsulfanyl]-1,3,4-oxadiazole

C29H21ClN6O3S — CID 138670549

About 2-(4-chlorophenyl)-5-[[6-methyl-4-[4-[5-(pyridin-2-ylmethoxy)-1,3,4-oxadiazol-2-yl]phenyl]-2-pyridinyl]methylsulfanyl]-1,3,4-oxadiazole

2-(4-chlorophenyl)-5-[[6-methyl-4-[4-[5-(pyridin-2-ylmethoxy)-1,3,4-oxadiazol-2-yl]phenyl]-2-pyridinyl]methylsulfanyl]-1,3,4-oxadiazole (PubChem CID 138670549) has the molecular formula C29H21ClN6O3S and a molecular weight of 569.05 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-[[6-methyl-4-[4-[5-(pyridin-2-ylmethoxy)-1,3,4-oxadiazol-2-yl]phenyl]-2-pyridinyl]methylsulfanyl]-1,3,4-oxadiazole.

Molecular Properties

• Compound Name: 2-(4-chlorophenyl)-5-[[6-methyl-4-[4-[5-(pyridin-2-ylmethoxy)-1,3,4-oxadiazol-2-yl]phenyl]-2-pyridinyl]methylsulfanyl]-1,3,4-oxadiazole
• PubChem CID: 138670549
• Molecular Formula: C29H21ClN6O3S
• Molecular Weight: 569.05 g/mol
• Exact Mass: 568.11
• IUPAC Name: 2-(4-chlorophenyl)-5-[[6-methyl-4-[4-[5-(pyridin-2-ylmethoxy)-1,3,4-oxadiazol-2-yl]phenyl]-2-pyridinyl]methylsulfanyl]-1,3,4-oxadiazole
• SMILES: Cc1cc(-c2ccc(-c3nnc(OCc4ccccn4)o3)cc2)cc(CSc2nnc(-c3ccc(Cl)cc3)o2)n1
• InChI: InChI=1S/C29H21ClN6O3S/c1-18-14-22(15-25(32-18)17-40-29-36-34-27(39-29)21-9-11-23(30)12-10-21)19-5-7-20(8-6-19)26-33-35-28(38-26)37-16-24-4-2-3-13-31-24/h2-15H,16-17H2,1H3
• InChIKey: IFGTZDCLZDRPJN-UHFFFAOYSA-N
• XLogP: 7.08
• TPSA: 112.85 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	569.05
LogP ≤ 5	7.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-[[6-methyl-4-[4-[5-(pyridin-2-ylmethoxy)-1,3,4-oxadiazol-2-yl]phenyl]-2-pyridinyl]methylsulfanyl]-1,3,4-oxadiazole?

The IUPAC name of 2-(4-chlorophenyl)-5-[[6-methyl-4-[4-[5-(pyridin-2-ylmethoxy)-1,3,4-oxadiazol-2-yl]phenyl]-2-pyridinyl]methylsulfanyl]-1,3,4-oxadiazole (CID 138670549) is 2-(4-chlorophenyl)-5-[[6-methyl-4-[4-[5-(pyridin-2-ylmethoxy)-1,3,4-oxadiazol-2-yl]phenyl]-2-pyridinyl]methylsulfanyl]-1,3,4-oxadiazole.

What is the SMILES notation for 2-(4-chlorophenyl)-5-[[6-methyl-4-[4-[5-(pyridin-2-ylmethoxy)-1,3,4-oxadiazol-2-yl]phenyl]-2-pyridinyl]methylsulfanyl]-1,3,4-oxadiazole?

The canonical SMILES for 2-(4-chlorophenyl)-5-[[6-methyl-4-[4-[5-(pyridin-2-ylmethoxy)-1,3,4-oxadiazol-2-yl]phenyl]-2-pyridinyl]methylsulfanyl]-1,3,4-oxadiazole is Cc1cc(-c2ccc(-c3nnc(OCc4ccccn4)o3)cc2)cc(CSc2nnc(-c3ccc(Cl)cc3)o2)n1.

What is the InChIKey of 2-(4-chlorophenyl)-5-[[6-methyl-4-[4-[5-(pyridin-2-ylmethoxy)-1,3,4-oxadiazol-2-yl]phenyl]-2-pyridinyl]methylsulfanyl]-1,3,4-oxadiazole?

The InChIKey is IFGTZDCLZDRPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21ClN6O3S/c1-18-14-22(15-25(32-18)17-40-29-36-34-27(39-29)21-9-11-23(30)12-10-21)19-5-7-20(8-6-19)26-33-35-28(38-26)37-16-24-4-2-3-13-31-24/h2-15H,16-17H2,1H3.

What are the key properties of 2-(4-chlorophenyl)-5-[[6-methyl-4-[4-[5-(pyridin-2-ylmethoxy)-1,3,4-oxadiazol-2-yl]phenyl]-2-pyridinyl]methylsulfanyl]-1,3,4-oxadiazole?

2-(4-chlorophenyl)-5-[[6-methyl-4-[4-[5-(pyridin-2-ylmethoxy)-1,3,4-oxadiazol-2-yl]phenyl]-2-pyridinyl]methylsulfanyl]-1,3,4-oxadiazole has a molecular weight of 569.05 g/mol, XLogP of 7.08, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chlorophenyl)-5-[[6-methyl-4-[4-[5-(pyridin-2-ylmethoxy)-1,3,4-oxadiazol-2-yl]phenyl]-2-pyridinyl]methylsulfanyl]-1,3,4-oxadiazole is sourced from PubChem (CID 138670549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).