2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;2,4-dimethyl-1,3-thiazole

C₁₅H₂₁N₃O₂S — CID 144982112

About 2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;2,4-dimethyl-1,3-thiazole

2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;2,4-dimethyl-1,3-thiazole (PubChem CID 144982112) has the molecular formula C₁₅H₂₁N₃O₂S and a molecular weight of 307.42 g/mol. Its IUPAC name is 2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;2,4-dimethyl-1,3-thiazole.

Molecular Properties

• Compound Name: 2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;2,4-dimethyl-1,3-thiazole
• PubChem CID: 144982112
• Molecular Formula: C₁₅H₂₁N₃O₂S
• Molecular Weight: 307.42 g/mol
• Exact Mass: 307.14
• IUPAC Name: 2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;2,4-dimethyl-1,3-thiazole
• SMILES: Cc1cc(C)on1.Cc1cnc(C)o1.Cc1csc(C)n1
• InChI: InChI=1S/2C5H7NO.C5H7NS/c1-4-3-6-5(2)7-4;1-4-3-5(2)7-6-4;1-4-3-7-5(2)6-4/h3*3H,1-2H3
• InChIKey: KSDXRVZDHUSCKC-UHFFFAOYSA-N
• XLogP: 4.34
• TPSA: 64.95 Ų
• H-Bond Acceptors: 6
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	307.42
LogP ≤ 5	4.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;2,4-dimethyl-1,3-thiazole?

The IUPAC name of 2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;2,4-dimethyl-1,3-thiazole (CID 144982112) is 2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;2,4-dimethyl-1,3-thiazole.

What is the SMILES notation for 2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;2,4-dimethyl-1,3-thiazole?

The canonical SMILES for 2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;2,4-dimethyl-1,3-thiazole is Cc1cc(C)on1.Cc1cnc(C)o1.Cc1csc(C)n1.

What is the InChIKey of 2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;2,4-dimethyl-1,3-thiazole?

The InChIKey is KSDXRVZDHUSCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H7NO.C5H7NS/c1-4-3-6-5(2)7-4;1-4-3-5(2)7-6-4;1-4-3-7-5(2)6-4/h3*3H,1-2H3.

What are the key properties of 2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;2,4-dimethyl-1,3-thiazole?

2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;2,4-dimethyl-1,3-thiazole has a molecular weight of 307.42 g/mol, XLogP of 4.34, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;2,4-dimethyl-1,3-thiazole is sourced from PubChem (CID 144982112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 144982112 — identifiers, structure, computed properties (public domain)

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