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

C42H24N6O3 — CID 23391269

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

2-[2-[3,5-bis[2-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine (PubChem CID 23391269) has the molecular formula C42H24N6O3 and a molecular weight of 660.69 g/mol. Its IUPAC name is 2-[2-[3,5-bis[2-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine.

Molecular Properties

• Compound Name: 2-[2-[3,5-bis[2-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine
• PubChem CID: 23391269
• Molecular Formula: C42H24N6O3
• Molecular Weight: 660.69 g/mol
• Exact Mass: 660.19
• IUPAC Name: 2-[2-[3,5-bis[2-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine
• SMILES: c1ccc(-c2nc3cccnc3o2)c(-c2cc(-c3ccccc3-c3nc4cccnc4o3)cc(-c3ccccc3-c3nc4cccnc4o3)c2)c1
• InChI: InChI=1S/C42H24N6O3/c1-4-13-31(37-46-34-16-7-19-43-40(34)49-37)28(10-1)25-22-26(29-11-2-5-14-32(29)38-47-35-17-8-20-44-41(35)50-38)24-27(23-25)30-12-3-6-15-33(30)39-48-36-18-9-21-45-42(36)51-39/h1-24H
• InChIKey: DEPXQKGTBAWIFP-UHFFFAOYSA-N
• XLogP: 10.30
• TPSA: 116.76 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	660.69
LogP ≤ 5	10.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 2-[2-[3,5-bis[2-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine (CID 23391269) is 2-[2-[3,5-bis[2-([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-[2-[3,5-bis[2-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine?

The canonical SMILES for 2-[2-[3,5-bis[2-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine is c1ccc(-c2nc3cccnc3o2)c(-c2cc(-c3ccccc3-c3nc4cccnc4o3)cc(-c3ccccc3-c3nc4cccnc4o3)c2)c1.

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

The InChIKey is DEPXQKGTBAWIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H24N6O3/c1-4-13-31(37-46-34-16-7-19-43-40(34)49-37)28(10-1)25-22-26(29-11-2-5-14-32(29)38-47-35-17-8-20-44-41(35)50-38)24-27(23-25)30-12-3-6-15-33(30)39-48-36-18-9-21-45-42(36)51-39/h1-24H.

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

2-[2-[3,5-bis[2-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine has a molecular weight of 660.69 g/mol, XLogP of 10.30, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[3,5-bis[2-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 23391269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).