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

C30H16N8O4 — CID 23391273

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

2-[2-(1,2-dihydro-[1,3]oxazolo[5,4-b]pyridin-2-yl)-4,5-bis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine (PubChem CID 23391273) has the molecular formula C30H16N8O4 and a molecular weight of 552.51 g/mol. Its IUPAC name is 2-[2-(1,2-dihydro-[1,3]oxazolo[5,4-b]pyridin-2-yl)-4,5-bis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine.

Molecular Properties

• Compound Name: 2-[2-(1,2-dihydro-[1,3]oxazolo[5,4-b]pyridin-2-yl)-4,5-bis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine
• PubChem CID: 23391273
• Molecular Formula: C30H16N8O4
• Molecular Weight: 552.51 g/mol
• Exact Mass: 552.13
• IUPAC Name: 2-[2-(1,2-dihydro-[1,3]oxazolo[5,4-b]pyridin-2-yl)-4,5-bis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine
• SMILES: c1cnc2c(c1)NC(c1cc(-c3nc4cccnc4o3)c(-c3nc4cccnc4o3)cc1-c1nc3cccnc3o1)O2
• InChI: InChI=1S/C30H16N8O4/c1-5-19-27(31-9-1)39-23(35-19)15-13-17(25-37-21-7-3-11-33-29(21)41-25)18(26-38-22-8-4-12-34-30(22)42-26)14-16(15)24-36-20-6-2-10-32-28(20)40-24/h1-14,23,35H
• InChIKey: BJMBIPIROLMRJR-UHFFFAOYSA-N
• XLogP: 6.19
• TPSA: 150.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 4
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	552.51
LogP ≤ 5	6.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

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

The IUPAC name of 2-[2-(1,2-dihydro-[1,3]oxazolo[5,4-b]pyridin-2-yl)-4,5-bis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine (CID 23391273) is 2-[2-(1,2-dihydro-[1,3]oxazolo[5,4-b]pyridin-2-yl)-4,5-bis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine.

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

The canonical SMILES for 2-[2-(1,2-dihydro-[1,3]oxazolo[5,4-b]pyridin-2-yl)-4,5-bis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine is c1cnc2c(c1)NC(c1cc(-c3nc4cccnc4o3)c(-c3nc4cccnc4o3)cc1-c1nc3cccnc3o1)O2.

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

The InChIKey is BJMBIPIROLMRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H16N8O4/c1-5-19-27(31-9-1)39-23(35-19)15-13-17(25-37-21-7-3-11-33-29(21)41-25)18(26-38-22-8-4-12-34-30(22)42-26)14-16(15)24-36-20-6-2-10-32-28(20)40-24/h1-14,23,35H.

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

2-[2-(1,2-dihydro-[1,3]oxazolo[5,4-b]pyridin-2-yl)-4,5-bis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine has a molecular weight of 552.51 g/mol, XLogP of 6.19, 4 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(1,2-dihydro-[1,3]oxazolo[5,4-b]pyridin-2-yl)-4,5-bis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 23391273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).