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

C30H18N4O2 — CID 59739020

IUPAC2-[3-[4-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[4,5-c]pyridine
SMILESc1cc(-c2ccc(-c3cccc(-c4nc5ncccc5o4)c3)cc2)cc(-c2nc3cnccc3o2)c1
InChIInChI=1S/C30H18N4O2/c1-4-21(16-23(6-1)29-33-25-18-31-15-13-26(25)35-29)19-9-11-20(12-10-19)22-5-2-7-24(17-22)30-34-28-27(36-30)8-3-14-32-28/h1-18H
InChIKeyUNWTZQTZYXNZBX-UHFFFAOYSA-N
MW466.50 g/mol
LogP7.43
Rot. Bonds4

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

2-[3-[4-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[4,5-c]pyridine (PubChem CID 59739020) has the molecular formula C30H18N4O2 and a molecular weight of 466.50 g/mol. Its IUPAC name is 2-[3-[4-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[4,5-c]pyridine.

Molecular Properties

Compound Name2-[3-[4-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[4,5-c]pyridine
PubChem CID59739020
Molecular FormulaC30H18N4O2
Molecular Weight466.50 g/mol
Exact Mass466.14
IUPAC Name2-[3-[4-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[4,5-c]pyridine
SMILESc1cc(-c2ccc(-c3cccc(-c4nc5ncccc5o4)c3)cc2)cc(-c2nc3cnccc3o2)c1
InChIInChI=1S/C30H18N4O2/c1-4-21(16-23(6-1)29-33-25-18-31-15-13-26(25)35-29)19-9-11-20(12-10-19)22-5-2-7-24(17-22)30-34-28-27(36-30)8-3-14-32-28/h1-18H
InChIKeyUNWTZQTZYXNZBX-UHFFFAOYSA-N
XLogP7.43
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.50
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[4,5-c]pyridine?
The IUPAC name of 2-[3-[4-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[4,5-c]pyridine (CID 59739020) is 2-[3-[4-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[4,5-c]pyridine.
What is the SMILES notation for 2-[3-[4-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[4,5-c]pyridine?
The canonical SMILES for 2-[3-[4-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[4,5-c]pyridine is c1cc(-c2ccc(-c3cccc(-c4nc5ncccc5o4)c3)cc2)cc(-c2nc3cnccc3o2)c1.
What is the InChIKey of 2-[3-[4-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[4,5-c]pyridine?
The InChIKey is UNWTZQTZYXNZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H18N4O2/c1-4-21(16-23(6-1)29-33-25-18-31-15-13-26(25)35-29)19-9-11-20(12-10-19)22-5-2-7-24(17-22)30-34-28-27(36-30)8-3-14-32-28/h1-18H.
What are the key properties of 2-[3-[4-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[4,5-c]pyridine?
2-[3-[4-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[4,5-c]pyridine has a molecular weight of 466.50 g/mol, XLogP of 7.43, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[4,5-c]pyridine is sourced from PubChem (CID 59739020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).