2-[3-([1,3]oxazolo[5,4-b]pyridin-2-yl)-5-[2,4,5-tris[3,5-bis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine

C78H38N16O8 — CID 23391302

About 2-[3-([1,3]oxazolo[5,4-b]pyridin-2-yl)-5-[2,4,5-tris[3,5-bis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine

2-[3-([1,3]oxazolo[5,4-b]pyridin-2-yl)-5-[2,4,5-tris[3,5-bis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine (PubChem CID 23391302) has the molecular formula C78H38N16O8 and a molecular weight of 1327.27 g/mol. Its IUPAC name is 2-[3-([1,3]oxazolo[5,4-b]pyridin-2-yl)-5-[2,4,5-tris[3,5-bis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine.

Molecular Properties

• Compound Name: 2-[3-([1,3]oxazolo[5,4-b]pyridin-2-yl)-5-[2,4,5-tris[3,5-bis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine
• PubChem CID: 23391302
• Molecular Formula: C78H38N16O8
• Molecular Weight: 1327.27 g/mol
• Exact Mass: 1326.31
• IUPAC Name: 2-[3-([1,3]oxazolo[5,4-b]pyridin-2-yl)-5-[2,4,5-tris[3,5-bis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine
• SMILES: c1cnc2oc(-c3cc(-c4nc5cccnc5o4)cc(-c4cc(-c5cc(-c6nc7cccnc7o6)cc(-c6nc7cccnc7o6)c5)c(-c5cc(-c6nc7cccnc7o6)cc(-c6nc7cccnc7o6)c5)cc4-c4cc(-c5nc6cccnc6o5)cc(-c5nc6cccnc6o5)c4)c3)nc2c1
• InChI: InChI=1S/C78H38N16O8/c1-9-55-71(79-17-1)95-63(87-55)43-25-39(26-44(33-43)64-88-56-10-2-18-80-72(56)96-64)51-37-53(41-29-47(67-91-59-13-5-21-83-75(59)99-67)35-48(30-41)68-92-60-14-6-22-84-76(60)100-68)54(42-31-49(69-93-61-15-7-23-85-77(61)101-69)36-50(32-42)70-94-62-16-8-24-86-78(62)102-70)38-52(51)40-27-45(65-89-57-11-3-19-81-73(57)97-65)34-46(28-40)66-90-58-12-4-20-82-74(58)98-66/h1-38H
• InChIKey: NVPTWRFBNFGFEP-UHFFFAOYSA-N
• XLogP: 17.98
• TPSA: 311.36 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 12
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1327.27
LogP ≤ 5	17.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 2-[3-([1,3]oxazolo[5,4-b]pyridin-2-yl)-5-[2,4,5-tris[3,5-bis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine?

The IUPAC name of 2-[3-([1,3]oxazolo[5,4-b]pyridin-2-yl)-5-[2,4,5-tris[3,5-bis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine (CID 23391302) is 2-[3-([1,3]oxazolo[5,4-b]pyridin-2-yl)-5-[2,4,5-tris[3,5-bis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine.

What is the SMILES notation for 2-[3-([1,3]oxazolo[5,4-b]pyridin-2-yl)-5-[2,4,5-tris[3,5-bis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine?

The canonical SMILES for 2-[3-([1,3]oxazolo[5,4-b]pyridin-2-yl)-5-[2,4,5-tris[3,5-bis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine is c1cnc2oc(-c3cc(-c4nc5cccnc5o4)cc(-c4cc(-c5cc(-c6nc7cccnc7o6)cc(-c6nc7cccnc7o6)c5)c(-c5cc(-c6nc7cccnc7o6)cc(-c6nc7cccnc7o6)c5)cc4-c4cc(-c5nc6cccnc6o5)cc(-c5nc6cccnc6o5)c4)c3)nc2c1.

What is the InChIKey of 2-[3-([1,3]oxazolo[5,4-b]pyridin-2-yl)-5-[2,4,5-tris[3,5-bis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine?

The InChIKey is NVPTWRFBNFGFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H38N16O8/c1-9-55-71(79-17-1)95-63(87-55)43-25-39(26-44(33-43)64-88-56-10-2-18-80-72(56)96-64)51-37-53(41-29-47(67-91-59-13-5-21-83-75(59)99-67)35-48(30-41)68-92-60-14-6-22-84-76(60)100-68)54(42-31-49(69-93-61-15-7-23-85-77(61)101-69)36-50(32-42)70-94-62-16-8-24-86-78(62)102-70)38-52(51)40-27-45(65-89-57-11-3-19-81-73(57)97-65)34-46(28-40)66-90-58-12-4-20-82-74(58)98-66/h1-38H.

What are the key properties of 2-[3-([1,3]oxazolo[5,4-b]pyridin-2-yl)-5-[2,4,5-tris[3,5-bis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine?

2-[3-([1,3]oxazolo[5,4-b]pyridin-2-yl)-5-[2,4,5-tris[3,5-bis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine has a molecular weight of 1327.27 g/mol, XLogP of 17.98, 12 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-([1,3]oxazolo[5,4-b]pyridin-2-yl)-5-[2,4,5-tris[3,5-bis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 23391302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).