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

C30H14N8O4 — CID 20606857

IUPAC2-[2,4,5-tris([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine
SMILESc1cnc2oc(-c3cc(-c4nc5cccnc5o4)c(-c4nc5cccnc5o4)cc3-c3nc4cccnc4o3)nc2c1
InChIInChI=1S/C30H14N8O4/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/h1-14H
InChIKeyAYHTXDFWPISUFD-UHFFFAOYSA-N
MW550.49 g/mol
LogP6.50
Rot. Bonds4

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

2-[2,4,5-tris([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine (PubChem CID 20606857) has the molecular formula C30H14N8O4 and a molecular weight of 550.49 g/mol. Its IUPAC name is 2-[2,4,5-tris([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name2-[2,4,5-tris([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine
PubChem CID20606857
Molecular FormulaC30H14N8O4
Molecular Weight550.49 g/mol
Exact Mass550.11
IUPAC Name2-[2,4,5-tris([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine
SMILESc1cnc2oc(-c3cc(-c4nc5cccnc5o4)c(-c4nc5cccnc5o4)cc3-c3nc4cccnc4o3)nc2c1
InChIInChI=1S/C30H14N8O4/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/h1-14H
InChIKeyAYHTXDFWPISUFD-UHFFFAOYSA-N
XLogP6.50
TPSA155.68 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500550.49
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of 2-[2,4,5-tris([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine?
The IUPAC name of 2-[2,4,5-tris([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine (CID 20606857) is 2-[2,4,5-tris([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 2-[2,4,5-tris([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine?
The canonical SMILES for 2-[2,4,5-tris([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine is c1cnc2oc(-c3cc(-c4nc5cccnc5o4)c(-c4nc5cccnc5o4)cc3-c3nc4cccnc4o3)nc2c1.
What is the InChIKey of 2-[2,4,5-tris([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine?
The InChIKey is AYHTXDFWPISUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H14N8O4/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/h1-14H.
What are the key properties of 2-[2,4,5-tris([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine?
2-[2,4,5-tris([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine has a molecular weight of 550.49 g/mol, XLogP of 6.50, 4 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4,5-tris([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 20606857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).