6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[2-[4-(difluoromethyl)phenyl]phenyl]-1,3-dihydroisoindol-1-ol

C24H17F4N3O2 — CID 138625981

About 6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[2-[4-(difluoromethyl)phenyl]phenyl]-1,3-dihydroisoindol-1-ol

6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[2-[4-(difluoromethyl)phenyl]phenyl]-1,3-dihydroisoindol-1-ol (PubChem CID 138625981) has the molecular formula C24H17F4N3O2 and a molecular weight of 455.41 g/mol. Its IUPAC name is 6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[2-[4-(difluoromethyl)phenyl]phenyl]-1,3-dihydroisoindol-1-ol.

Molecular Properties

• Compound Name: 6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[2-[4-(difluoromethyl)phenyl]phenyl]-1,3-dihydroisoindol-1-ol
• PubChem CID: 138625981
• Molecular Formula: C24H17F4N3O2
• Molecular Weight: 455.41 g/mol
• Exact Mass: 455.13
• IUPAC Name: 6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[2-[4-(difluoromethyl)phenyl]phenyl]-1,3-dihydroisoindol-1-ol
• SMILES: OC1c2cc(-c3nnc(C(F)F)o3)ccc2CN1c1ccccc1-c1ccc(C(F)F)cc1
• InChI: InChI=1S/C24H17F4N3O2/c25-20(26)14-7-5-13(6-8-14)17-3-1-2-4-19(17)31-12-16-10-9-15(11-18(16)24(31)32)22-29-30-23(33-22)21(27)28/h1-11,20-21,24,32H,12H2
• InChIKey: WMEXHSFZQZBCDT-UHFFFAOYSA-N
• XLogP: 6.29
• TPSA: 62.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	455.41
LogP ≤ 5	6.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[2-[4-(difluoromethyl)phenyl]phenyl]-1,3-dihydroisoindol-1-ol?

The IUPAC name of 6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[2-[4-(difluoromethyl)phenyl]phenyl]-1,3-dihydroisoindol-1-ol (CID 138625981) is 6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[2-[4-(difluoromethyl)phenyl]phenyl]-1,3-dihydroisoindol-1-ol.

What is the SMILES notation for 6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[2-[4-(difluoromethyl)phenyl]phenyl]-1,3-dihydroisoindol-1-ol?

The canonical SMILES for 6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[2-[4-(difluoromethyl)phenyl]phenyl]-1,3-dihydroisoindol-1-ol is OC1c2cc(-c3nnc(C(F)F)o3)ccc2CN1c1ccccc1-c1ccc(C(F)F)cc1.

What is the InChIKey of 6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[2-[4-(difluoromethyl)phenyl]phenyl]-1,3-dihydroisoindol-1-ol?

The InChIKey is WMEXHSFZQZBCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F4N3O2/c25-20(26)14-7-5-13(6-8-14)17-3-1-2-4-19(17)31-12-16-10-9-15(11-18(16)24(31)32)22-29-30-23(33-22)21(27)28/h1-11,20-21,24,32H,12H2.

What are the key properties of 6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[2-[4-(difluoromethyl)phenyl]phenyl]-1,3-dihydroisoindol-1-ol?

6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[2-[4-(difluoromethyl)phenyl]phenyl]-1,3-dihydroisoindol-1-ol has a molecular weight of 455.41 g/mol, XLogP of 6.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[2-[4-(difluoromethyl)phenyl]phenyl]-1,3-dihydroisoindol-1-ol is sourced from PubChem (CID 138625981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).