(2R)-N-(5-chloro-1,3-benzoxazol-2-yl)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]-N-methylpropanamide

C24H17Cl2N3O5 — CID 68764158

About (2R)-N-(5-chloro-1,3-benzoxazol-2-yl)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]-N-methylpropanamide

(2R)-N-(5-chloro-1,3-benzoxazol-2-yl)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]-N-methylpropanamide (PubChem CID 68764158) has the molecular formula C24H17Cl2N3O5 and a molecular weight of 498.32 g/mol. Its IUPAC name is (2R)-N-(5-chloro-1,3-benzoxazol-2-yl)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]-N-methylpropanamide.

Molecular Properties

• Compound Name: (2R)-N-(5-chloro-1,3-benzoxazol-2-yl)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]-N-methylpropanamide
• PubChem CID: 68764158
• Molecular Formula: C24H17Cl2N3O5
• Molecular Weight: 498.32 g/mol
• Exact Mass: 497.05
• IUPAC Name: (2R)-N-(5-chloro-1,3-benzoxazol-2-yl)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]-N-methylpropanamide
• SMILES: C[C@@H](Oc1ccc(Oc2nc3ccc(Cl)cc3o2)cc1)C(=O)N(C)c1nc2cc(Cl)ccc2o1
• InChI: InChI=1S/C24H17Cl2N3O5/c1-13(22(30)29(2)23-27-19-11-14(25)4-10-20(19)33-23)31-16-5-7-17(8-6-16)32-24-28-18-9-3-15(26)12-21(18)34-24/h3-13H,1-2H3/t13-/m1/s1
• InChIKey: XUBSCZZPFRUTJR-CYBMUJFWSA-N
• XLogP: 6.50
• TPSA: 90.83 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	498.32
LogP ≤ 5	6.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(5-chloro-1,3-benzoxazol-2-yl)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]-N-methylpropanamide?

The IUPAC name of (2R)-N-(5-chloro-1,3-benzoxazol-2-yl)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]-N-methylpropanamide (CID 68764158) is (2R)-N-(5-chloro-1,3-benzoxazol-2-yl)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]-N-methylpropanamide.

What is the SMILES notation for (2R)-N-(5-chloro-1,3-benzoxazol-2-yl)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]-N-methylpropanamide?

The canonical SMILES for (2R)-N-(5-chloro-1,3-benzoxazol-2-yl)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]-N-methylpropanamide is C[C@@H](Oc1ccc(Oc2nc3ccc(Cl)cc3o2)cc1)C(=O)N(C)c1nc2cc(Cl)ccc2o1.

What is the InChIKey of (2R)-N-(5-chloro-1,3-benzoxazol-2-yl)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]-N-methylpropanamide?

The InChIKey is XUBSCZZPFRUTJR-CYBMUJFWSA-N. The full InChI is InChI=1S/C24H17Cl2N3O5/c1-13(22(30)29(2)23-27-19-11-14(25)4-10-20(19)33-23)31-16-5-7-17(8-6-16)32-24-28-18-9-3-15(26)12-21(18)34-24/h3-13H,1-2H3/t13-/m1/s1.

What are the key properties of (2R)-N-(5-chloro-1,3-benzoxazol-2-yl)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]-N-methylpropanamide?

(2R)-N-(5-chloro-1,3-benzoxazol-2-yl)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]-N-methylpropanamide has a molecular weight of 498.32 g/mol, XLogP of 6.50, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-(5-chloro-1,3-benzoxazol-2-yl)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]-N-methylpropanamide is sourced from PubChem (CID 68764158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).