3-phenyl-5-[4-[3-[4-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]phenyl]-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole

C33H20F3N5O2S — CID 126612684

About 3-phenyl-5-[4-[3-[4-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]phenyl]-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole

3-phenyl-5-[4-[3-[4-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]phenyl]-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole (PubChem CID 126612684) has the molecular formula C33H20F3N5O2S and a molecular weight of 607.62 g/mol. Its IUPAC name is 3-phenyl-5-[4-[3-[4-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]phenyl]-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 3-phenyl-5-[4-[3-[4-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]phenyl]-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole
• PubChem CID: 126612684
• Molecular Formula: C33H20F3N5O2S
• Molecular Weight: 607.62 g/mol
• Exact Mass: 607.13
• IUPAC Name: 3-phenyl-5-[4-[3-[4-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]phenyl]-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole
• SMILES: FC(F)(F)c1sc(-c2nc(-c3ccccc3)no2)cc1-c1cccc(-c2ccc(Cc3nc(-c4ccncc4)no3)cc2)c1
• InChI: InChI=1S/C33H20F3N5O2S/c34-33(35,36)29-26(19-27(44-29)32-39-31(41-43-32)22-5-2-1-3-6-22)25-8-4-7-24(18-25)21-11-9-20(10-12-21)17-28-38-30(40-42-28)23-13-15-37-16-14-23/h1-16,18-19H,17H2
• InChIKey: OMDHCOBCEOMLKQ-UHFFFAOYSA-N
• XLogP: 8.85
• TPSA: 90.73 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	607.62
LogP ≤ 5	8.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-[4-[3-[4-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]phenyl]-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole?

The IUPAC name of 3-phenyl-5-[4-[3-[4-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]phenyl]-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole (CID 126612684) is 3-phenyl-5-[4-[3-[4-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]phenyl]-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole.

What is the SMILES notation for 3-phenyl-5-[4-[3-[4-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]phenyl]-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole?

The canonical SMILES for 3-phenyl-5-[4-[3-[4-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]phenyl]-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole is FC(F)(F)c1sc(-c2nc(-c3ccccc3)no2)cc1-c1cccc(-c2ccc(Cc3nc(-c4ccncc4)no3)cc2)c1.

What is the InChIKey of 3-phenyl-5-[4-[3-[4-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]phenyl]-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole?

The InChIKey is OMDHCOBCEOMLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H20F3N5O2S/c34-33(35,36)29-26(19-27(44-29)32-39-31(41-43-32)22-5-2-1-3-6-22)25-8-4-7-24(18-25)21-11-9-20(10-12-21)17-28-38-30(40-42-28)23-13-15-37-16-14-23/h1-16,18-19H,17H2.

What are the key properties of 3-phenyl-5-[4-[3-[4-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]phenyl]-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole?

3-phenyl-5-[4-[3-[4-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]phenyl]-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole has a molecular weight of 607.62 g/mol, XLogP of 8.85, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-phenyl-5-[4-[3-[4-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]phenyl]-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 126612684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).