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]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[5,4-b]pyridine;2-[2,4,6-trimethyl-3,5-bis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine;2-[2,4,6-trimethyl-3,5-bis([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[5,4-b]pyridine

C102H60N24O6S6 — CID 157311494

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]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[5,4-b]pyridine;2-[2,4,6-trimethyl-3,5-bis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine;2-[2,4,6-trimethyl-3,5-bis([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[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;2-[3,5-bis([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[5,4-b]pyridine;2-[2,4,6-trimethyl-3,5-bis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine;2-[2,4,6-trimethyl-3,5-bis([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[5,4-b]pyridine (PubChem CID 157311494) has the molecular formula C102H60N24O6S6 and a molecular weight of 1910.17 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;2-[3,5-bis([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[5,4-b]pyridine;2-[2,4,6-trimethyl-3,5-bis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine;2-[2,4,6-trimethyl-3,5-bis([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[5,4-b]pyridine.

Molecular Properties

• Compound Name: 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]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[5,4-b]pyridine;2-[2,4,6-trimethyl-3,5-bis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine;2-[2,4,6-trimethyl-3,5-bis([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[5,4-b]pyridine
• PubChem CID: 157311494
• Molecular Formula: C102H60N24O6S6
• Molecular Weight: 1910.17 g/mol
• Exact Mass: 1908.35
• IUPAC Name: 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]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[5,4-b]pyridine;2-[2,4,6-trimethyl-3,5-bis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine;2-[2,4,6-trimethyl-3,5-bis([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[5,4-b]pyridine
• SMILES: Cc1c(-c2nc3cccnc3o2)c(C)c(-c2nc3cccnc3o2)c(C)c1-c1nc2cccnc2o1.Cc1c(-c2nc3cccnc3s2)c(C)c(-c2nc3cccnc3s2)c(C)c1-c1nc2cccnc2s1.c1cnc2oc(-c3cc(-c4nc5cccnc5o4)cc(-c4nc5cccnc5o4)c3)nc2c1.c1cnc2sc(-c3cc(-c4nc5cccnc5s4)cc(-c4nc5cccnc5s4)c3)nc2c1
• InChI: InChI=1S/C27H18N6O3.C27H18N6S3.C24H12N6O3.C24H12N6S3/c2*1-13-19(25-31-16-7-4-10-28-22(16)34-25)14(2)21(27-33-18-9-6-12-30-24(18)36-27)15(3)20(13)26-32-17-8-5-11-29-23(17)35-26;2*1-4-16-22(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/h2*4-12H,1-3H3;2*1-12H
• InChIKey: BDCASENIFLLAMB-UHFFFAOYSA-N
• XLogP: 25.85
• TPSA: 388.20 Ų
• H-Bond Acceptors: 36
• Rotatable Bonds: 12
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1910.17
LogP ≤ 5	25.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	36

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;2-[3,5-bis([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[5,4-b]pyridine;2-[2,4,6-trimethyl-3,5-bis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine;2-[2,4,6-trimethyl-3,5-bis([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[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;2-[3,5-bis([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[5,4-b]pyridine;2-[2,4,6-trimethyl-3,5-bis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine;2-[2,4,6-trimethyl-3,5-bis([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[5,4-b]pyridine (CID 157311494) is 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]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[5,4-b]pyridine;2-[2,4,6-trimethyl-3,5-bis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine;2-[2,4,6-trimethyl-3,5-bis([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[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;2-[3,5-bis([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[5,4-b]pyridine;2-[2,4,6-trimethyl-3,5-bis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine;2-[2,4,6-trimethyl-3,5-bis([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[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;2-[3,5-bis([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[5,4-b]pyridine;2-[2,4,6-trimethyl-3,5-bis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine;2-[2,4,6-trimethyl-3,5-bis([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[5,4-b]pyridine is Cc1c(-c2nc3cccnc3o2)c(C)c(-c2nc3cccnc3o2)c(C)c1-c1nc2cccnc2o1.Cc1c(-c2nc3cccnc3s2)c(C)c(-c2nc3cccnc3s2)c(C)c1-c1nc2cccnc2s1.c1cnc2oc(-c3cc(-c4nc5cccnc5o4)cc(-c4nc5cccnc5o4)c3)nc2c1.c1cnc2sc(-c3cc(-c4nc5cccnc5s4)cc(-c4nc5cccnc5s4)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;2-[3,5-bis([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[5,4-b]pyridine;2-[2,4,6-trimethyl-3,5-bis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine;2-[2,4,6-trimethyl-3,5-bis([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[5,4-b]pyridine?

The InChIKey is BDCASENIFLLAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18N6O3.C27H18N6S3.C24H12N6O3.C24H12N6S3/c2*1-13-19(25-31-16-7-4-10-28-22(16)34-25)14(2)21(27-33-18-9-6-12-30-24(18)36-27)15(3)20(13)26-32-17-8-5-11-29-23(17)35-26;2*1-4-16-22(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/h2*4-12H,1-3H3;2*1-12H.

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]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[5,4-b]pyridine;2-[2,4,6-trimethyl-3,5-bis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine;2-[2,4,6-trimethyl-3,5-bis([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[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;2-[3,5-bis([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[5,4-b]pyridine;2-[2,4,6-trimethyl-3,5-bis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine;2-[2,4,6-trimethyl-3,5-bis([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[5,4-b]pyridine has a molecular weight of 1910.17 g/mol, XLogP of 25.85, 12 rotatable bonds, 0 hydrogen bond donors, and 36 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;2-[3,5-bis([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[5,4-b]pyridine;2-[2,4,6-trimethyl-3,5-bis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine;2-[2,4,6-trimethyl-3,5-bis([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[5,4-b]pyridine is sourced from PubChem (CID 157311494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).