6-chloro-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]-1,3-benzoxazole

C20H10Cl2N2O4 — CID 86114524

About 6-chloro-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]-1,3-benzoxazole

6-chloro-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]-1,3-benzoxazole (PubChem CID 86114524) has the molecular formula C20H10Cl2N2O4 and a molecular weight of 413.22 g/mol. Its IUPAC name is 6-chloro-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]-1,3-benzoxazole.

Molecular Properties

• Compound Name: 6-chloro-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]-1,3-benzoxazole
• PubChem CID: 86114524
• Molecular Formula: C20H10Cl2N2O4
• Molecular Weight: 413.22 g/mol
• Exact Mass: 412.00
• IUPAC Name: 6-chloro-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]-1,3-benzoxazole
• SMILES: Clc1ccc2nc(Oc3ccc(Oc4nc5ccc(Cl)cc5o4)cc3)oc2c1
• InChI: InChI=1S/C20H10Cl2N2O4/c21-11-1-7-15-17(9-11)27-19(23-15)25-13-3-5-14(6-4-13)26-20-24-16-8-2-12(22)10-18(16)28-20/h1-10H
• InChIKey: OYJNNIWUOWKDJA-UHFFFAOYSA-N
• XLogP: 6.86
• TPSA: 70.52 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	413.22
LogP ≤ 5	6.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]-1,3-benzoxazole?

The IUPAC name of 6-chloro-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]-1,3-benzoxazole (CID 86114524) is 6-chloro-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]-1,3-benzoxazole.

What is the SMILES notation for 6-chloro-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]-1,3-benzoxazole?

The canonical SMILES for 6-chloro-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]-1,3-benzoxazole is Clc1ccc2nc(Oc3ccc(Oc4nc5ccc(Cl)cc5o4)cc3)oc2c1.

What is the InChIKey of 6-chloro-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]-1,3-benzoxazole?

The InChIKey is OYJNNIWUOWKDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10Cl2N2O4/c21-11-1-7-15-17(9-11)27-19(23-15)25-13-3-5-14(6-4-13)26-20-24-16-8-2-12(22)10-18(16)28-20/h1-10H.

What are the key properties of 6-chloro-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]-1,3-benzoxazole?

6-chloro-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]-1,3-benzoxazole has a molecular weight of 413.22 g/mol, XLogP of 6.86, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]-1,3-benzoxazole is sourced from PubChem (CID 86114524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).