(5-methoxy-1-benzofuran-2-yl)-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone

C22H21N5O4 — CID 90642369

About (5-methoxy-1-benzofuran-2-yl)-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone

(5-methoxy-1-benzofuran-2-yl)-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone (PubChem CID 90642369) has the molecular formula C22H21N5O4 and a molecular weight of 419.44 g/mol. Its IUPAC name is (5-methoxy-1-benzofuran-2-yl)-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: (5-methoxy-1-benzofuran-2-yl)-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
• PubChem CID: 90642369
• Molecular Formula: C22H21N5O4
• Molecular Weight: 419.44 g/mol
• Exact Mass: 419.16
• IUPAC Name: (5-methoxy-1-benzofuran-2-yl)-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
• SMILES: COc1ccc2oc(C(=O)N3CCCC(Cc4nc(-c5cnccn5)no4)C3)cc2c1
• InChI: InChI=1S/C22H21N5O4/c1-29-16-4-5-18-15(10-16)11-19(30-18)22(28)27-8-2-3-14(13-27)9-20-25-21(26-31-20)17-12-23-6-7-24-17/h4-7,10-12,14H,2-3,8-9,13H2,1H3
• InChIKey: SYTJYUXBAYSCSF-UHFFFAOYSA-N
• XLogP: 3.38
• TPSA: 107.38 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.44
LogP ≤ 5	3.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (5-methoxy-1-benzofuran-2-yl)-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone?

The IUPAC name of (5-methoxy-1-benzofuran-2-yl)-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone (CID 90642369) is (5-methoxy-1-benzofuran-2-yl)-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone.

What is the SMILES notation for (5-methoxy-1-benzofuran-2-yl)-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone?

The canonical SMILES for (5-methoxy-1-benzofuran-2-yl)-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone is COc1ccc2oc(C(=O)N3CCCC(Cc4nc(-c5cnccn5)no4)C3)cc2c1.

What is the InChIKey of (5-methoxy-1-benzofuran-2-yl)-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone?

The InChIKey is SYTJYUXBAYSCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O4/c1-29-16-4-5-18-15(10-16)11-19(30-18)22(28)27-8-2-3-14(13-27)9-20-25-21(26-31-20)17-12-23-6-7-24-17/h4-7,10-12,14H,2-3,8-9,13H2,1H3.

What are the key properties of (5-methoxy-1-benzofuran-2-yl)-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone?

(5-methoxy-1-benzofuran-2-yl)-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 419.44 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (5-methoxy-1-benzofuran-2-yl)-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 90642369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).