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

C28H25N5O2S2 — CID 123501131

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

2-phenyl-5-[[2-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]cyclohexyl]-4-pyridinyl]methylsulfanyl]-1,3,4-oxadiazole (PubChem CID 123501131) has the molecular formula C28H25N5O2S2 and a molecular weight of 527.68 g/mol. Its IUPAC name is 2-phenyl-5-[[2-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]cyclohexyl]-4-pyridinyl]methylsulfanyl]-1,3,4-oxadiazole.

Molecular Properties

• Compound Name: 2-phenyl-5-[[2-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]cyclohexyl]-4-pyridinyl]methylsulfanyl]-1,3,4-oxadiazole
• PubChem CID: 123501131
• Molecular Formula: C28H25N5O2S2
• Molecular Weight: 527.68 g/mol
• Exact Mass: 527.14
• IUPAC Name: 2-phenyl-5-[[2-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]cyclohexyl]-4-pyridinyl]methylsulfanyl]-1,3,4-oxadiazole
• SMILES: c1ccc(-c2nnc(SCc3ccnc(C4CCCC(Sc5nnc(-c6ccccc6)o5)C4)c3)o2)cc1
• InChI: InChI=1S/C28H25N5O2S2/c1-3-8-20(9-4-1)25-30-32-27(34-25)36-18-19-14-15-29-24(16-19)22-12-7-13-23(17-22)37-28-33-31-26(35-28)21-10-5-2-6-11-21/h1-6,8-11,14-16,22-23H,7,12-13,17-18H2
• InChIKey: LYBXEWMTVMLBGD-UHFFFAOYSA-N
• XLogP: 7.29
• TPSA: 90.73 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	527.68
LogP ≤ 5	7.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 2-phenyl-5-[[2-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]cyclohexyl]-4-pyridinyl]methylsulfanyl]-1,3,4-oxadiazole (CID 123501131) is 2-phenyl-5-[[2-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]cyclohexyl]-4-pyridinyl]methylsulfanyl]-1,3,4-oxadiazole.

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

The canonical SMILES for 2-phenyl-5-[[2-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]cyclohexyl]-4-pyridinyl]methylsulfanyl]-1,3,4-oxadiazole is c1ccc(-c2nnc(SCc3ccnc(C4CCCC(Sc5nnc(-c6ccccc6)o5)C4)c3)o2)cc1.

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

The InChIKey is LYBXEWMTVMLBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N5O2S2/c1-3-8-20(9-4-1)25-30-32-27(34-25)36-18-19-14-15-29-24(16-19)22-12-7-13-23(17-22)37-28-33-31-26(35-28)21-10-5-2-6-11-21/h1-6,8-11,14-16,22-23H,7,12-13,17-18H2.

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

2-phenyl-5-[[2-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]cyclohexyl]-4-pyridinyl]methylsulfanyl]-1,3,4-oxadiazole has a molecular weight of 527.68 g/mol, XLogP of 7.29, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-phenyl-5-[[2-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]cyclohexyl]-4-pyridinyl]methylsulfanyl]-1,3,4-oxadiazole is sourced from PubChem (CID 123501131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).