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

C24H12N6O3 — CID 23391296

IUPAC2-[3,5-bis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine
SMILESc1cnc2oc(-c3cc(-c4nc5cccnc5o4)cc(-c4nc5cccnc5o4)c3)nc2c1
InChIInChI=1S/C24H12N6O3/c1-4-16-22(25-7-1)31-19(28-16)13-10-14(20-29-17-5-2-8-26-23(17)32-20)12-15(11-13)21-30-18-6-3-9-27-24(18)33-21/h1-12H
InChIKeyWBQKDCMFKIJKPM-UHFFFAOYSA-N
MW432.40 g/mol
LogP5.30
Rot. Bonds3

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

2-[3,5-bis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine (PubChem CID 23391296) has the molecular formula C24H12N6O3 and a molecular weight of 432.40 g/mol. Its IUPAC name is 2-[3,5-bis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name2-[3,5-bis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine
PubChem CID23391296
Molecular FormulaC24H12N6O3
Molecular Weight432.40 g/mol
Exact Mass432.10
IUPAC Name2-[3,5-bis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine
SMILESc1cnc2oc(-c3cc(-c4nc5cccnc5o4)cc(-c4nc5cccnc5o4)c3)nc2c1
InChIInChI=1S/C24H12N6O3/c1-4-16-22(25-7-1)31-19(28-16)13-10-14(20-29-17-5-2-8-26-23(17)32-20)12-15(11-13)21-30-18-6-3-9-27-24(18)33-21/h1-12H
InChIKeyWBQKDCMFKIJKPM-UHFFFAOYSA-N
XLogP5.30
TPSA116.76 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.40
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine?
The IUPAC name of 2-[3,5-bis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine (CID 23391296) is 2-[3,5-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-[3,5-bis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine?
The canonical SMILES for 2-[3,5-bis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine is c1cnc2oc(-c3cc(-c4nc5cccnc5o4)cc(-c4nc5cccnc5o4)c3)nc2c1.
What is the InChIKey of 2-[3,5-bis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine?
The InChIKey is WBQKDCMFKIJKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H12N6O3/c1-4-16-22(25-7-1)31-19(28-16)13-10-14(20-29-17-5-2-8-26-23(17)32-20)12-15(11-13)21-30-18-6-3-9-27-24(18)33-21/h1-12H.
What are the key properties of 2-[3,5-bis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine?
2-[3,5-bis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine has a molecular weight of 432.40 g/mol, XLogP of 5.30, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 23391296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).