[2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]-[(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone

C26H25N5O4 — CID 129455476

About [2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]-[(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone

[2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]-[(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone (PubChem CID 129455476) has the molecular formula C26H25N5O4 and a molecular weight of 471.52 g/mol. Its IUPAC name is [2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]-[(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: [2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]-[(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
• PubChem CID: 129455476
• Molecular Formula: C26H25N5O4
• Molecular Weight: 471.52 g/mol
• Exact Mass: 471.19
• IUPAC Name: [2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]-[(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
• SMILES: Cc1nonc1COc1ccccc1C(=O)N1CCC[C@@H](c2cncc(Oc3ccccc3)n2)C1
• InChI: InChI=1S/C26H25N5O4/c1-18-23(30-35-29-18)17-33-24-12-6-5-11-21(24)26(32)31-13-7-8-19(16-31)22-14-27-15-25(28-22)34-20-9-3-2-4-10-20/h2-6,9-12,14-15,19H,7-8,13,16-17H2,1H3/t19-/m1/s1
• InChIKey: IMNQGTYDHOQMLH-LJQANCHMSA-N
• XLogP: 4.56
• TPSA: 103.47 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.52
LogP ≤ 5	4.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]-[(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone?

The IUPAC name of [2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]-[(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone (CID 129455476) is [2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]-[(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone.

What is the SMILES notation for [2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]-[(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone?

The canonical SMILES for [2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]-[(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone is Cc1nonc1COc1ccccc1C(=O)N1CCC[C@@H](c2cncc(Oc3ccccc3)n2)C1.

What is the InChIKey of [2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]-[(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone?

The InChIKey is IMNQGTYDHOQMLH-LJQANCHMSA-N. The full InChI is InChI=1S/C26H25N5O4/c1-18-23(30-35-29-18)17-33-24-12-6-5-11-21(24)26(32)31-13-7-8-19(16-31)22-14-27-15-25(28-22)34-20-9-3-2-4-10-20/h2-6,9-12,14-15,19H,7-8,13,16-17H2,1H3/t19-/m1/s1.

What are the key properties of [2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]-[(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone?

[2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]-[(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone has a molecular weight of 471.52 g/mol, XLogP of 4.56, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]-[(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 129455476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).