1-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanone

C20H21ClN2O4 — CID 122247810

About 1-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanone

1-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanone (PubChem CID 122247810) has the molecular formula C20H21ClN2O4 and a molecular weight of 388.85 g/mol. Its IUPAC name is 1-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanone.

Molecular Properties

• Compound Name: 1-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanone
• PubChem CID: 122247810
• Molecular Formula: C20H21ClN2O4
• Molecular Weight: 388.85 g/mol
• Exact Mass: 388.12
• IUPAC Name: 1-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanone
• SMILES: CC1(C)Cc2cccc(OCC(=O)N3CC(Oc4ncccc4Cl)C3)c2O1
• InChI: InChI=1S/C20H21ClN2O4/c1-20(2)9-13-5-3-7-16(18(13)27-20)25-12-17(24)23-10-14(11-23)26-19-15(21)6-4-8-22-19/h3-8,14H,9-12H2,1-2H3
• InChIKey: VTRFZPFVPIXIMP-UHFFFAOYSA-N
• XLogP: 3.12
• TPSA: 60.89 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.85
LogP ≤ 5	3.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanone?

The IUPAC name of 1-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanone (CID 122247810) is 1-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanone.

What is the SMILES notation for 1-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanone?

The canonical SMILES for 1-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanone is CC1(C)Cc2cccc(OCC(=O)N3CC(Oc4ncccc4Cl)C3)c2O1.

What is the InChIKey of 1-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanone?

The InChIKey is VTRFZPFVPIXIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O4/c1-20(2)9-13-5-3-7-16(18(13)27-20)25-12-17(24)23-10-14(11-23)26-19-15(21)6-4-8-22-19/h3-8,14H,9-12H2,1-2H3.

What are the key properties of 1-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanone?

1-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanone has a molecular weight of 388.85 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanone is sourced from PubChem (CID 122247810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).