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

C27H27N3O2S — CID 132767514

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

(2-benzyl-4-methyl-1,3-thiazol-5-yl)-[2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]methanone (PubChem CID 132767514) has the molecular formula C27H27N3O2S and a molecular weight of 457.60 g/mol. Its IUPAC name is (2-benzyl-4-methyl-1,3-thiazol-5-yl)-[2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: (2-benzyl-4-methyl-1,3-thiazol-5-yl)-[2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]methanone
• PubChem CID: 132767514
• Molecular Formula: C27H27N3O2S
• Molecular Weight: 457.60 g/mol
• Exact Mass: 457.18
• IUPAC Name: (2-benzyl-4-methyl-1,3-thiazol-5-yl)-[2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]methanone
• SMILES: Cc1nc(Cc2ccccc2)sc1C(=O)N1CCCCC1c1ncc(Cc2ccccc2)o1
• InChI: InChI=1S/C27H27N3O2S/c1-19-25(33-24(29-19)17-21-12-6-3-7-13-21)27(31)30-15-9-8-14-23(30)26-28-18-22(32-26)16-20-10-4-2-5-11-20/h2-7,10-13,18,23H,8-9,14-17H2,1H3
• InChIKey: CCZUWZQOVRUQND-UHFFFAOYSA-N
• XLogP: 5.99
• TPSA: 59.23 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	457.60
LogP ≤ 5	5.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (2-benzyl-4-methyl-1,3-thiazol-5-yl)-[2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]methanone (CID 132767514) is (2-benzyl-4-methyl-1,3-thiazol-5-yl)-[2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]methanone.

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

The canonical SMILES for (2-benzyl-4-methyl-1,3-thiazol-5-yl)-[2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]methanone is Cc1nc(Cc2ccccc2)sc1C(=O)N1CCCCC1c1ncc(Cc2ccccc2)o1.

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

The InChIKey is CCZUWZQOVRUQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O2S/c1-19-25(33-24(29-19)17-21-12-6-3-7-13-21)27(31)30-15-9-8-14-23(30)26-28-18-22(32-26)16-20-10-4-2-5-11-20/h2-7,10-13,18,23H,8-9,14-17H2,1H3.

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

(2-benzyl-4-methyl-1,3-thiazol-5-yl)-[2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 457.60 g/mol, XLogP of 5.99, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2-benzyl-4-methyl-1,3-thiazol-5-yl)-[2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 132767514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).