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

C26H24FN3O2S — CID 110119963

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

[3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone (PubChem CID 110119963) has the molecular formula C26H24FN3O2S and a molecular weight of 461.56 g/mol. Its IUPAC name is [3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone.

Molecular Properties

• Compound Name: [3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone
• PubChem CID: 110119963
• Molecular Formula: C26H24FN3O2S
• Molecular Weight: 461.56 g/mol
• Exact Mass: 461.16
• IUPAC Name: [3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone
• SMILES: Cc1nc(-c2ccccc2F)sc1C(=O)N1CCCC(c2ncc(Cc3ccccc3)o2)C1
• InChI: InChI=1S/C26H24FN3O2S/c1-17-23(33-25(29-17)21-11-5-6-12-22(21)27)26(31)30-13-7-10-19(16-30)24-28-15-20(32-24)14-18-8-3-2-4-9-18/h2-6,8-9,11-12,15,19H,7,10,13-14,16H2,1H3
• InChIKey: HJUUPORUUYRZCY-UHFFFAOYSA-N
• XLogP: 5.86
• TPSA: 59.23 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	461.56
LogP ≤ 5	5.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of [3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone (CID 110119963) is [3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone.

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

The canonical SMILES for [3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone is Cc1nc(-c2ccccc2F)sc1C(=O)N1CCCC(c2ncc(Cc3ccccc3)o2)C1.

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

The InChIKey is HJUUPORUUYRZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3O2S/c1-17-23(33-25(29-17)21-11-5-6-12-22(21)27)26(31)30-13-7-10-19(16-30)24-28-15-20(32-24)14-18-8-3-2-4-9-18/h2-6,8-9,11-12,15,19H,7,10,13-14,16H2,1H3.

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

[3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone has a molecular weight of 461.56 g/mol, XLogP of 5.86, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 110119963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).