4-chloro-2-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline;4-chloro-2-([1,3]oxazolo[5,4-b]pyridin-2-yl)aniline;4-chloro-2-([1,3]oxazolo[4,5-c]pyridin-2-yl)aniline;2-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline;2-([1,3]oxazolo[5,4-b]pyridin-2-yl)aniline;2-([1,3]oxazolo[4,5-c]pyridin-2-yl)aniline

C72H51Cl3N18O6 — CID 159330620

About 4-chloro-2-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline;4-chloro-2-([1,3]oxazolo[5,4-b]pyridin-2-yl)aniline;4-chloro-2-([1,3]oxazolo[4,5-c]pyridin-2-yl)aniline;2-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline;2-([1,3]oxazolo[5,4-b]pyridin-2-yl)aniline;2-([1,3]oxazolo[4,5-c]pyridin-2-yl)aniline

4-chloro-2-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline;4-chloro-2-([1,3]oxazolo[5,4-b]pyridin-2-yl)aniline;4-chloro-2-([1,3]oxazolo[4,5-c]pyridin-2-yl)aniline;2-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline;2-([1,3]oxazolo[5,4-b]pyridin-2-yl)aniline;2-([1,3]oxazolo[4,5-c]pyridin-2-yl)aniline (PubChem CID 159330620) has the molecular formula C72H51Cl3N18O6 and a molecular weight of 1370.68 g/mol. Its IUPAC name is 4-chloro-2-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline;4-chloro-2-([1,3]oxazolo[5,4-b]pyridin-2-yl)aniline;4-chloro-2-([1,3]oxazolo[4,5-c]pyridin-2-yl)aniline;2-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline;2-([1,3]oxazolo[5,4-b]pyridin-2-yl)aniline;2-([1,3]oxazolo[4,5-c]pyridin-2-yl)aniline.

Molecular Properties

• Compound Name: 4-chloro-2-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline;4-chloro-2-([1,3]oxazolo[5,4-b]pyridin-2-yl)aniline;4-chloro-2-([1,3]oxazolo[4,5-c]pyridin-2-yl)aniline;2-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline;2-([1,3]oxazolo[5,4-b]pyridin-2-yl)aniline;2-([1,3]oxazolo[4,5-c]pyridin-2-yl)aniline
• PubChem CID: 159330620
• Molecular Formula: C72H51Cl3N18O6
• Molecular Weight: 1370.68 g/mol
• Exact Mass: 1368.33
• IUPAC Name: 4-chloro-2-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline;4-chloro-2-([1,3]oxazolo[5,4-b]pyridin-2-yl)aniline;4-chloro-2-([1,3]oxazolo[4,5-c]pyridin-2-yl)aniline;2-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline;2-([1,3]oxazolo[5,4-b]pyridin-2-yl)aniline;2-([1,3]oxazolo[4,5-c]pyridin-2-yl)aniline
• SMILES: Nc1ccc(Cl)cc1-c1nc2cccnc2o1.Nc1ccc(Cl)cc1-c1nc2cnccc2o1.Nc1ccc(Cl)cc1-c1nc2ncccc2o1.Nc1ccccc1-c1nc2cccnc2o1.Nc1ccccc1-c1nc2cnccc2o1.Nc1ccccc1-c1nc2ncccc2o1
• InChI: InChI=1S/3C12H8ClN3O.3C12H9N3O/c13-7-1-2-9(14)8(5-7)12-16-10-6-15-4-3-11(10)17-12;13-7-3-4-9(14)8(6-7)12-16-11-10(17-12)2-1-5-15-11;13-7-3-4-9(14)8(6-7)11-16-10-2-1-5-15-12(10)17-11;13-9-5-2-1-4-8(9)12-15-11-10(16-12)6-3-7-14-11;13-9-5-2-1-4-8(9)11-15-10-6-3-7-14-12(10)16-11;13-9-4-2-1-3-8(9)12-15-10-7-14-6-5-11(10)16-12/h3*1-6H,14H2;3*1-7H,13H2
• InChIKey: LEXSYUSEEOMJDG-UHFFFAOYSA-N
• XLogP: 16.79
• TPSA: 389.64 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 6
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1370.68
LogP ≤ 5	16.79
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline;4-chloro-2-([1,3]oxazolo[5,4-b]pyridin-2-yl)aniline;4-chloro-2-([1,3]oxazolo[4,5-c]pyridin-2-yl)aniline;2-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline;2-([1,3]oxazolo[5,4-b]pyridin-2-yl)aniline;2-([1,3]oxazolo[4,5-c]pyridin-2-yl)aniline?

The IUPAC name of 4-chloro-2-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline;4-chloro-2-([1,3]oxazolo[5,4-b]pyridin-2-yl)aniline;4-chloro-2-([1,3]oxazolo[4,5-c]pyridin-2-yl)aniline;2-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline;2-([1,3]oxazolo[5,4-b]pyridin-2-yl)aniline;2-([1,3]oxazolo[4,5-c]pyridin-2-yl)aniline (CID 159330620) is 4-chloro-2-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline;4-chloro-2-([1,3]oxazolo[5,4-b]pyridin-2-yl)aniline;4-chloro-2-([1,3]oxazolo[4,5-c]pyridin-2-yl)aniline;2-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline;2-([1,3]oxazolo[5,4-b]pyridin-2-yl)aniline;2-([1,3]oxazolo[4,5-c]pyridin-2-yl)aniline.

What is the SMILES notation for 4-chloro-2-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline;4-chloro-2-([1,3]oxazolo[5,4-b]pyridin-2-yl)aniline;4-chloro-2-([1,3]oxazolo[4,5-c]pyridin-2-yl)aniline;2-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline;2-([1,3]oxazolo[5,4-b]pyridin-2-yl)aniline;2-([1,3]oxazolo[4,5-c]pyridin-2-yl)aniline?

The canonical SMILES for 4-chloro-2-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline;4-chloro-2-([1,3]oxazolo[5,4-b]pyridin-2-yl)aniline;4-chloro-2-([1,3]oxazolo[4,5-c]pyridin-2-yl)aniline;2-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline;2-([1,3]oxazolo[5,4-b]pyridin-2-yl)aniline;2-([1,3]oxazolo[4,5-c]pyridin-2-yl)aniline is Nc1ccc(Cl)cc1-c1nc2cccnc2o1.Nc1ccc(Cl)cc1-c1nc2cnccc2o1.Nc1ccc(Cl)cc1-c1nc2ncccc2o1.Nc1ccccc1-c1nc2cccnc2o1.Nc1ccccc1-c1nc2cnccc2o1.Nc1ccccc1-c1nc2ncccc2o1.

What is the InChIKey of 4-chloro-2-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline;4-chloro-2-([1,3]oxazolo[5,4-b]pyridin-2-yl)aniline;4-chloro-2-([1,3]oxazolo[4,5-c]pyridin-2-yl)aniline;2-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline;2-([1,3]oxazolo[5,4-b]pyridin-2-yl)aniline;2-([1,3]oxazolo[4,5-c]pyridin-2-yl)aniline?

The InChIKey is LEXSYUSEEOMJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/3C12H8ClN3O.3C12H9N3O/c13-7-1-2-9(14)8(5-7)12-16-10-6-15-4-3-11(10)17-12;13-7-3-4-9(14)8(6-7)12-16-11-10(17-12)2-1-5-15-11;13-7-3-4-9(14)8(6-7)11-16-10-2-1-5-15-12(10)17-11;13-9-5-2-1-4-8(9)12-15-11-10(16-12)6-3-7-14-11;13-9-5-2-1-4-8(9)11-15-10-6-3-7-14-12(10)16-11;13-9-4-2-1-3-8(9)12-15-10-7-14-6-5-11(10)16-12/h3*1-6H,14H2;3*1-7H,13H2.

What are the key properties of 4-chloro-2-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline;4-chloro-2-([1,3]oxazolo[5,4-b]pyridin-2-yl)aniline;4-chloro-2-([1,3]oxazolo[4,5-c]pyridin-2-yl)aniline;2-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline;2-([1,3]oxazolo[5,4-b]pyridin-2-yl)aniline;2-([1,3]oxazolo[4,5-c]pyridin-2-yl)aniline?

4-chloro-2-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline;4-chloro-2-([1,3]oxazolo[5,4-b]pyridin-2-yl)aniline;4-chloro-2-([1,3]oxazolo[4,5-c]pyridin-2-yl)aniline;2-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline;2-([1,3]oxazolo[5,4-b]pyridin-2-yl)aniline;2-([1,3]oxazolo[4,5-c]pyridin-2-yl)aniline has a molecular weight of 1370.68 g/mol, XLogP of 16.79, 6 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-2-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline;4-chloro-2-([1,3]oxazolo[5,4-b]pyridin-2-yl)aniline;4-chloro-2-([1,3]oxazolo[4,5-c]pyridin-2-yl)aniline;2-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline;2-([1,3]oxazolo[5,4-b]pyridin-2-yl)aniline;2-([1,3]oxazolo[4,5-c]pyridin-2-yl)aniline is sourced from PubChem (CID 159330620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).