4-tert-butyl-3,5-dimethyl-1,2-oxazole;5-tert-butyl-1,3-dimethylpyrazole;4-tert-butyl-3,5-dimethyl-1,2-thiazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;5-tert-butyl-3,4-dimethyl-1,2-thiazole;4-tert-butyl-5-methyl-1,3-thiazole

C53H89N7OS4 — CID 165016830

About 4-tert-butyl-3,5-dimethyl-1,2-oxazole;5-tert-butyl-1,3-dimethylpyrazole;4-tert-butyl-3,5-dimethyl-1,2-thiazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;5-tert-butyl-3,4-dimethyl-1,2-thiazole;4-tert-butyl-5-methyl-1,3-thiazole

4-tert-butyl-3,5-dimethyl-1,2-oxazole;5-tert-butyl-1,3-dimethylpyrazole;4-tert-butyl-3,5-dimethyl-1,2-thiazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;5-tert-butyl-3,4-dimethyl-1,2-thiazole;4-tert-butyl-5-methyl-1,3-thiazole (PubChem CID 165016830) has the molecular formula C53H89N7OS4 and a molecular weight of 968.61 g/mol. Its IUPAC name is 4-tert-butyl-3,5-dimethyl-1,2-oxazole;5-tert-butyl-1,3-dimethylpyrazole;4-tert-butyl-3,5-dimethyl-1,2-thiazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;5-tert-butyl-3,4-dimethyl-1,2-thiazole;4-tert-butyl-5-methyl-1,3-thiazole.

Molecular Properties

• Compound Name: 4-tert-butyl-3,5-dimethyl-1,2-oxazole;5-tert-butyl-1,3-dimethylpyrazole;4-tert-butyl-3,5-dimethyl-1,2-thiazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;5-tert-butyl-3,4-dimethyl-1,2-thiazole;4-tert-butyl-5-methyl-1,3-thiazole
• PubChem CID: 165016830
• Molecular Formula: C53H89N7OS4
• Molecular Weight: 968.61 g/mol
• Exact Mass: 967.60
• IUPAC Name: 4-tert-butyl-3,5-dimethyl-1,2-oxazole;5-tert-butyl-1,3-dimethylpyrazole;4-tert-butyl-3,5-dimethyl-1,2-thiazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;5-tert-butyl-3,4-dimethyl-1,2-thiazole;4-tert-butyl-5-methyl-1,3-thiazole
• SMILES: Cc1cc(C(C)(C)C)n(C)n1.Cc1nc(C)c(C(C)(C)C)s1.Cc1noc(C)c1C(C)(C)C.Cc1nsc(C(C)(C)C)c1C.Cc1nsc(C)c1C(C)(C)C.Cc1scnc1C(C)(C)C
• InChI: InChI=1S/C9H16N2.C9H15NO.3C9H15NS.C8H13NS/c1-7-6-8(9(2,3)4)11(5)10-7;1-6-8(9(3,4)5)7(2)11-10-6;1-6-8(9(3,4)5)11-7(2)10-6;1-6-8(9(3,4)5)7(2)11-10-6;1-6-7(2)10-11-8(6)9(3,4)5;1-6-7(8(2,3)4)9-5-10-6/h6H,1-5H3;4*1-5H3;5H,1-4H3
• InChIKey: KOABYDXFJCSREB-UHFFFAOYSA-N
• XLogP: 16.54
• TPSA: 95.41 Ų
• H-Bond Acceptors: 12
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	968.61
LogP ≤ 5	16.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

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

The IUPAC name of 4-tert-butyl-3,5-dimethyl-1,2-oxazole;5-tert-butyl-1,3-dimethylpyrazole;4-tert-butyl-3,5-dimethyl-1,2-thiazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;5-tert-butyl-3,4-dimethyl-1,2-thiazole;4-tert-butyl-5-methyl-1,3-thiazole (CID 165016830) is 4-tert-butyl-3,5-dimethyl-1,2-oxazole;5-tert-butyl-1,3-dimethylpyrazole;4-tert-butyl-3,5-dimethyl-1,2-thiazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;5-tert-butyl-3,4-dimethyl-1,2-thiazole;4-tert-butyl-5-methyl-1,3-thiazole.

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

The canonical SMILES for 4-tert-butyl-3,5-dimethyl-1,2-oxazole;5-tert-butyl-1,3-dimethylpyrazole;4-tert-butyl-3,5-dimethyl-1,2-thiazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;5-tert-butyl-3,4-dimethyl-1,2-thiazole;4-tert-butyl-5-methyl-1,3-thiazole is Cc1cc(C(C)(C)C)n(C)n1.Cc1nc(C)c(C(C)(C)C)s1.Cc1noc(C)c1C(C)(C)C.Cc1nsc(C(C)(C)C)c1C.Cc1nsc(C)c1C(C)(C)C.Cc1scnc1C(C)(C)C.

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

The InChIKey is KOABYDXFJCSREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2.C9H15NO.3C9H15NS.C8H13NS/c1-7-6-8(9(2,3)4)11(5)10-7;1-6-8(9(3,4)5)7(2)11-10-6;1-6-8(9(3,4)5)11-7(2)10-6;1-6-8(9(3,4)5)7(2)11-10-6;1-6-7(2)10-11-8(6)9(3,4)5;1-6-7(8(2,3)4)9-5-10-6/h6H,1-5H3;4*1-5H3;5H,1-4H3.

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

4-tert-butyl-3,5-dimethyl-1,2-oxazole;5-tert-butyl-1,3-dimethylpyrazole;4-tert-butyl-3,5-dimethyl-1,2-thiazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;5-tert-butyl-3,4-dimethyl-1,2-thiazole;4-tert-butyl-5-methyl-1,3-thiazole has a molecular weight of 968.61 g/mol, XLogP of 16.54, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-3,5-dimethyl-1,2-oxazole;5-tert-butyl-1,3-dimethylpyrazole;4-tert-butyl-3,5-dimethyl-1,2-thiazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;5-tert-butyl-3,4-dimethyl-1,2-thiazole;4-tert-butyl-5-methyl-1,3-thiazole is sourced from PubChem (CID 165016830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).