3-[[3-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,2-oxazole

C₁₂H₁₅N₃OS — CID 166211745

About 3-[[3-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,2-oxazole

3-[[3-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,2-oxazole (PubChem CID 166211745) has the molecular formula C₁₂H₁₅N₃OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 3-[[3-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,2-oxazole.

Molecular Properties

• Compound Name: 3-[[3-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,2-oxazole
• PubChem CID: 166211745
• Molecular Formula: C₁₂H₁₅N₃OS
• Molecular Weight: 249.34 g/mol
• Exact Mass: 249.09
• IUPAC Name: 3-[[3-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,2-oxazole
• SMILES: c1csc(C2CCCN(Cc3ccon3)C2)n1
• InChI: InChI=1S/C12H15N3OS/c1-2-10(12-13-4-7-17-12)8-15(5-1)9-11-3-6-16-14-11/h3-4,6-7,10H,1-2,5,8-9H2
• InChIKey: VSYARJUGKHSSPO-UHFFFAOYSA-N
• XLogP: 2.51
• TPSA: 42.16 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	249.34
LogP ≤ 5	2.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,2-oxazole?

The IUPAC name of 3-[[3-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,2-oxazole (CID 166211745) is 3-[[3-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,2-oxazole.

What is the SMILES notation for 3-[[3-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,2-oxazole?

The canonical SMILES for 3-[[3-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,2-oxazole is c1csc(C2CCCN(Cc3ccon3)C2)n1.

What is the InChIKey of 3-[[3-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,2-oxazole?

The InChIKey is VSYARJUGKHSSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-2-10(12-13-4-7-17-12)8-15(5-1)9-11-3-6-16-14-11/h3-4,6-7,10H,1-2,5,8-9H2.

What are the key properties of 3-[[3-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,2-oxazole?

3-[[3-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,2-oxazole has a molecular weight of 249.34 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[3-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 166211745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 166211745 — identifiers, structure, computed properties (public domain)

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