3-methyl-5-[[2-(1,3-oxazol-5-ylmethyl)-1,3-thiazol-4-yl]methyl]-1,2-oxazole

C₁₂H₁₁N₃O₂S — CID 156554927

About 3-methyl-5-[[2-(1,3-oxazol-5-ylmethyl)-1,3-thiazol-4-yl]methyl]-1,2-oxazole

3-methyl-5-[[2-(1,3-oxazol-5-ylmethyl)-1,3-thiazol-4-yl]methyl]-1,2-oxazole (PubChem CID 156554927) has the molecular formula C₁₂H₁₁N₃O₂S and a molecular weight of 261.31 g/mol. Its IUPAC name is 3-methyl-5-[[2-(1,3-oxazol-5-ylmethyl)-1,3-thiazol-4-yl]methyl]-1,2-oxazole.

Molecular Properties

• Compound Name: 3-methyl-5-[[2-(1,3-oxazol-5-ylmethyl)-1,3-thiazol-4-yl]methyl]-1,2-oxazole
• PubChem CID: 156554927
• Molecular Formula: C₁₂H₁₁N₃O₂S
• Molecular Weight: 261.31 g/mol
• Exact Mass: 261.06
• IUPAC Name: 3-methyl-5-[[2-(1,3-oxazol-5-ylmethyl)-1,3-thiazol-4-yl]methyl]-1,2-oxazole
• SMILES: Cc1cc(Cc2csc(Cc3cnco3)n2)on1
• InChI: InChI=1S/C12H11N3O2S/c1-8-2-10(17-15-8)3-9-6-18-12(14-9)4-11-5-13-7-16-11/h2,5-7H,3-4H2,1H3
• InChIKey: KFJINHAKGBTJPR-UHFFFAOYSA-N
• XLogP: 2.61
• TPSA: 64.95 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	261.31
LogP ≤ 5	2.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-methyl-5-[[2-(1,3-oxazol-5-ylmethyl)-1,3-thiazol-4-yl]methyl]-1,2-oxazole (CID 156554927) is 3-methyl-5-[[2-(1,3-oxazol-5-ylmethyl)-1,3-thiazol-4-yl]methyl]-1,2-oxazole.

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

The canonical SMILES for 3-methyl-5-[[2-(1,3-oxazol-5-ylmethyl)-1,3-thiazol-4-yl]methyl]-1,2-oxazole is Cc1cc(Cc2csc(Cc3cnco3)n2)on1.

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

The InChIKey is KFJINHAKGBTJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2S/c1-8-2-10(17-15-8)3-9-6-18-12(14-9)4-11-5-13-7-16-11/h2,5-7H,3-4H2,1H3.

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

3-methyl-5-[[2-(1,3-oxazol-5-ylmethyl)-1,3-thiazol-4-yl]methyl]-1,2-oxazole has a molecular weight of 261.31 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-5-[[2-(1,3-oxazol-5-ylmethyl)-1,3-thiazol-4-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 156554927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 156554927 — identifiers, structure, computed properties (public domain)

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