[2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methanone

C26H25N3O4 — CID 110120704

About [2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methanone

[2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methanone (PubChem CID 110120704) has the molecular formula C26H25N3O4 and a molecular weight of 443.50 g/mol. Its IUPAC name is [2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methanone.

Molecular Properties

• Compound Name: [2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methanone
• PubChem CID: 110120704
• Molecular Formula: C26H25N3O4
• Molecular Weight: 443.50 g/mol
• Exact Mass: 443.18
• IUPAC Name: [2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methanone
• SMILES: COc1ccc(-c2cc(C(=O)N3CCCCC3c3ncc(Cc4ccccc4)o3)on2)cc1
• InChI: InChI=1S/C26H25N3O4/c1-31-20-12-10-19(11-13-20)22-16-24(33-28-22)26(30)29-14-6-5-9-23(29)25-27-17-21(32-25)15-18-7-3-2-4-8-18/h2-4,7-8,10-13,16-17,23H,5-6,9,14-15H2,1H3
• InChIKey: OWUHQLOLWQRCOH-UHFFFAOYSA-N
• XLogP: 5.30
• TPSA: 81.60 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	443.50
LogP ≤ 5	5.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methanone?

The IUPAC name of [2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methanone (CID 110120704) is [2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methanone.

What is the SMILES notation for [2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methanone?

The canonical SMILES for [2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methanone is COc1ccc(-c2cc(C(=O)N3CCCCC3c3ncc(Cc4ccccc4)o3)on2)cc1.

What is the InChIKey of [2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methanone?

The InChIKey is OWUHQLOLWQRCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O4/c1-31-20-12-10-19(11-13-20)22-16-24(33-28-22)26(30)29-14-6-5-9-23(29)25-27-17-21(32-25)15-18-7-3-2-4-8-18/h2-4,7-8,10-13,16-17,23H,5-6,9,14-15H2,1H3.

What are the key properties of [2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methanone?

[2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methanone has a molecular weight of 443.50 g/mol, XLogP of 5.30, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methanone is sourced from PubChem (CID 110120704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).