4,5-ditert-butyl-1,2-dimethylimidazole;3,5-ditert-butyl-1,4-dimethylpyrazole;2,5-ditert-butyl-3,4-dimethylthiophene;3,4-ditert-butyl-1-methyl-5-methylidene-1,2,4-triazole;2,5-ditert-butyl-4-methyl-1,3-oxazole;4,5-ditert-butyl-2-methyl-1,3-oxazole;2,4-ditert-butyl-5-methyl-1,3-thiazole;4,5-ditert-butyl-2-methyl-1,3-thiazole;3,4-ditert-butyl-5-methyl-1,2,4-triazole;4,5-ditert-butyl-2-methyltriazole;2,5-ditert-butyl-1,3,4-oxadiazole

C132H239N19O3S3 — CID 159341173

About 4,5-ditert-butyl-1,2-dimethylimidazole;3,5-ditert-butyl-1,4-dimethylpyrazole;2,5-ditert-butyl-3,4-dimethylthiophene;3,4-ditert-butyl-1-methyl-5-methylidene-1,2,4-triazole;2,5-ditert-butyl-4-methyl-1,3-oxazole;4,5-ditert-butyl-2-methyl-1,3-oxazole;2,4-ditert-butyl-5-methyl-1,3-thiazole;4,5-ditert-butyl-2-methyl-1,3-thiazole;3,4-ditert-butyl-5-methyl-1,2,4-triazole;4,5-ditert-butyl-2-methyltriazole;2,5-ditert-butyl-1,3,4-oxadiazole

4,5-ditert-butyl-1,2-dimethylimidazole;3,5-ditert-butyl-1,4-dimethylpyrazole;2,5-ditert-butyl-3,4-dimethylthiophene;3,4-ditert-butyl-1-methyl-5-methylidene-1,2,4-triazole;2,5-ditert-butyl-4-methyl-1,3-oxazole;4,5-ditert-butyl-2-methyl-1,3-oxazole;2,4-ditert-butyl-5-methyl-1,3-thiazole;4,5-ditert-butyl-2-methyl-1,3-thiazole;3,4-ditert-butyl-5-methyl-1,2,4-triazole;4,5-ditert-butyl-2-methyltriazole;2,5-ditert-butyl-1,3,4-oxadiazole (PubChem CID 159341173) has the molecular formula C132H239N19O3S3 and a molecular weight of 2236.69 g/mol. Its IUPAC name is 4,5-ditert-butyl-1,2-dimethylimidazole;3,5-ditert-butyl-1,4-dimethylpyrazole;2,5-ditert-butyl-3,4-dimethylthiophene;3,4-ditert-butyl-1-methyl-5-methylidene-1,2,4-triazole;2,5-ditert-butyl-4-methyl-1,3-oxazole;4,5-ditert-butyl-2-methyl-1,3-oxazole;2,4-ditert-butyl-5-methyl-1,3-thiazole;4,5-ditert-butyl-2-methyl-1,3-thiazole;3,4-ditert-butyl-5-methyl-1,2,4-triazole;4,5-ditert-butyl-2-methyltriazole;2,5-ditert-butyl-1,3,4-oxadiazole.

Molecular Properties

• Compound Name: 4,5-ditert-butyl-1,2-dimethylimidazole;3,5-ditert-butyl-1,4-dimethylpyrazole;2,5-ditert-butyl-3,4-dimethylthiophene;3,4-ditert-butyl-1-methyl-5-methylidene-1,2,4-triazole;2,5-ditert-butyl-4-methyl-1,3-oxazole;4,5-ditert-butyl-2-methyl-1,3-oxazole;2,4-ditert-butyl-5-methyl-1,3-thiazole;4,5-ditert-butyl-2-methyl-1,3-thiazole;3,4-ditert-butyl-5-methyl-1,2,4-triazole;4,5-ditert-butyl-2-methyltriazole;2,5-ditert-butyl-1,3,4-oxadiazole
• PubChem CID: 159341173
• Molecular Formula: C132H239N19O3S3
• Molecular Weight: 2236.69 g/mol
• Exact Mass: 2234.83
• IUPAC Name: 4,5-ditert-butyl-1,2-dimethylimidazole;3,5-ditert-butyl-1,4-dimethylpyrazole;2,5-ditert-butyl-3,4-dimethylthiophene;3,4-ditert-butyl-1-methyl-5-methylidene-1,2,4-triazole;2,5-ditert-butyl-4-methyl-1,3-oxazole;4,5-ditert-butyl-2-methyl-1,3-oxazole;2,4-ditert-butyl-5-methyl-1,3-thiazole;4,5-ditert-butyl-2-methyl-1,3-thiazole;3,4-ditert-butyl-5-methyl-1,2,4-triazole;4,5-ditert-butyl-2-methyltriazole;2,5-ditert-butyl-1,3,4-oxadiazole
• SMILES: C=C1N(C)N=C(C(C)(C)C)N1C(C)(C)C.CC(C)(C)c1nnc(C(C)(C)C)o1.Cc1c(C(C)(C)C)nn(C)c1C(C)(C)C.Cc1c(C(C)(C)C)sc(C(C)(C)C)c1C.Cc1nc(C(C)(C)C)c(C(C)(C)C)n1C.Cc1nc(C(C)(C)C)c(C(C)(C)C)o1.Cc1nc(C(C)(C)C)c(C(C)(C)C)s1.Cc1nc(C(C)(C)C)oc1C(C)(C)C.Cc1nnc(C(C)(C)C)n1C(C)(C)C.Cc1sc(C(C)(C)C)nc1C(C)(C)C.Cn1nc(C(C)(C)C)c(C(C)(C)C)n1
• InChI: InChI=1S/C14H24S.2C13H24N2.C12H23N3.2C12H21NO.2C12H21NS.2C11H21N3.C10H18N2O/c1-9-10(2)12(14(6,7)8)15-11(9)13(3,4)5;1-9-14-10(12(2,3)4)11(15(9)8)13(5,6)7;1-9-10(12(2,3)4)14-15(8)11(9)13(5,6)7;1-9-14(8)13-10(11(2,3)4)15(9)12(5,6)7;1-8-13-9(11(2,3)4)10(14-8)12(5,6)7;1-8-9(11(2,3)4)14-10(13-8)12(5,6)7;1-8-13-9(11(2,3)4)10(14-8)12(5,6)7;1-8-9(11(2,3)4)13-10(14-8)12(5,6)7;1-10(2,3)8-9(11(4,5)6)13-14(7)12-8;1-8-12-13-9(10(2,3)4)14(8)11(5,6)7;1-9(2,3)7-11-12-8(13-7)10(4,5)6/h3*1-8H3;1H2,2-8H3;6*1-7H3;1-6H3
• InChIKey: LGDRYEBFTDHDQV-UHFFFAOYSA-N
• XLogP: 37.43
• TPSA: 232.66 Ų
• H-Bond Acceptors: 25
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2236.69
LogP ≤ 5	37.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 4,5-ditert-butyl-1,2-dimethylimidazole;3,5-ditert-butyl-1,4-dimethylpyrazole;2,5-ditert-butyl-3,4-dimethylthiophene;3,4-ditert-butyl-1-methyl-5-methylidene-1,2,4-triazole;2,5-ditert-butyl-4-methyl-1,3-oxazole;4,5-ditert-butyl-2-methyl-1,3-oxazole;2,4-ditert-butyl-5-methyl-1,3-thiazole;4,5-ditert-butyl-2-methyl-1,3-thiazole;3,4-ditert-butyl-5-methyl-1,2,4-triazole;4,5-ditert-butyl-2-methyltriazole;2,5-ditert-butyl-1,3,4-oxadiazole?

The IUPAC name of 4,5-ditert-butyl-1,2-dimethylimidazole;3,5-ditert-butyl-1,4-dimethylpyrazole;2,5-ditert-butyl-3,4-dimethylthiophene;3,4-ditert-butyl-1-methyl-5-methylidene-1,2,4-triazole;2,5-ditert-butyl-4-methyl-1,3-oxazole;4,5-ditert-butyl-2-methyl-1,3-oxazole;2,4-ditert-butyl-5-methyl-1,3-thiazole;4,5-ditert-butyl-2-methyl-1,3-thiazole;3,4-ditert-butyl-5-methyl-1,2,4-triazole;4,5-ditert-butyl-2-methyltriazole;2,5-ditert-butyl-1,3,4-oxadiazole (CID 159341173) is 4,5-ditert-butyl-1,2-dimethylimidazole;3,5-ditert-butyl-1,4-dimethylpyrazole;2,5-ditert-butyl-3,4-dimethylthiophene;3,4-ditert-butyl-1-methyl-5-methylidene-1,2,4-triazole;2,5-ditert-butyl-4-methyl-1,3-oxazole;4,5-ditert-butyl-2-methyl-1,3-oxazole;2,4-ditert-butyl-5-methyl-1,3-thiazole;4,5-ditert-butyl-2-methyl-1,3-thiazole;3,4-ditert-butyl-5-methyl-1,2,4-triazole;4,5-ditert-butyl-2-methyltriazole;2,5-ditert-butyl-1,3,4-oxadiazole.

What is the SMILES notation for 4,5-ditert-butyl-1,2-dimethylimidazole;3,5-ditert-butyl-1,4-dimethylpyrazole;2,5-ditert-butyl-3,4-dimethylthiophene;3,4-ditert-butyl-1-methyl-5-methylidene-1,2,4-triazole;2,5-ditert-butyl-4-methyl-1,3-oxazole;4,5-ditert-butyl-2-methyl-1,3-oxazole;2,4-ditert-butyl-5-methyl-1,3-thiazole;4,5-ditert-butyl-2-methyl-1,3-thiazole;3,4-ditert-butyl-5-methyl-1,2,4-triazole;4,5-ditert-butyl-2-methyltriazole;2,5-ditert-butyl-1,3,4-oxadiazole?

The canonical SMILES for 4,5-ditert-butyl-1,2-dimethylimidazole;3,5-ditert-butyl-1,4-dimethylpyrazole;2,5-ditert-butyl-3,4-dimethylthiophene;3,4-ditert-butyl-1-methyl-5-methylidene-1,2,4-triazole;2,5-ditert-butyl-4-methyl-1,3-oxazole;4,5-ditert-butyl-2-methyl-1,3-oxazole;2,4-ditert-butyl-5-methyl-1,3-thiazole;4,5-ditert-butyl-2-methyl-1,3-thiazole;3,4-ditert-butyl-5-methyl-1,2,4-triazole;4,5-ditert-butyl-2-methyltriazole;2,5-ditert-butyl-1,3,4-oxadiazole is C=C1N(C)N=C(C(C)(C)C)N1C(C)(C)C.CC(C)(C)c1nnc(C(C)(C)C)o1.Cc1c(C(C)(C)C)nn(C)c1C(C)(C)C.Cc1c(C(C)(C)C)sc(C(C)(C)C)c1C.Cc1nc(C(C)(C)C)c(C(C)(C)C)n1C.Cc1nc(C(C)(C)C)c(C(C)(C)C)o1.Cc1nc(C(C)(C)C)c(C(C)(C)C)s1.Cc1nc(C(C)(C)C)oc1C(C)(C)C.Cc1nnc(C(C)(C)C)n1C(C)(C)C.Cc1sc(C(C)(C)C)nc1C(C)(C)C.Cn1nc(C(C)(C)C)c(C(C)(C)C)n1.

What is the InChIKey of 4,5-ditert-butyl-1,2-dimethylimidazole;3,5-ditert-butyl-1,4-dimethylpyrazole;2,5-ditert-butyl-3,4-dimethylthiophene;3,4-ditert-butyl-1-methyl-5-methylidene-1,2,4-triazole;2,5-ditert-butyl-4-methyl-1,3-oxazole;4,5-ditert-butyl-2-methyl-1,3-oxazole;2,4-ditert-butyl-5-methyl-1,3-thiazole;4,5-ditert-butyl-2-methyl-1,3-thiazole;3,4-ditert-butyl-5-methyl-1,2,4-triazole;4,5-ditert-butyl-2-methyltriazole;2,5-ditert-butyl-1,3,4-oxadiazole?

The InChIKey is LGDRYEBFTDHDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24S.2C13H24N2.C12H23N3.2C12H21NO.2C12H21NS.2C11H21N3.C10H18N2O/c1-9-10(2)12(14(6,7)8)15-11(9)13(3,4)5;1-9-14-10(12(2,3)4)11(15(9)8)13(5,6)7;1-9-10(12(2,3)4)14-15(8)11(9)13(5,6)7;1-9-14(8)13-10(11(2,3)4)15(9)12(5,6)7;1-8-13-9(11(2,3)4)10(14-8)12(5,6)7;1-8-9(11(2,3)4)14-10(13-8)12(5,6)7;1-8-13-9(11(2,3)4)10(14-8)12(5,6)7;1-8-9(11(2,3)4)13-10(14-8)12(5,6)7;1-10(2,3)8-9(11(4,5)6)13-14(7)12-8;1-8-12-13-9(10(2,3)4)14(8)11(5,6)7;1-9(2,3)7-11-12-8(13-7)10(4,5)6/h3*1-8H3;1H2,2-8H3;6*1-7H3;1-6H3.

What are the key properties of 4,5-ditert-butyl-1,2-dimethylimidazole;3,5-ditert-butyl-1,4-dimethylpyrazole;2,5-ditert-butyl-3,4-dimethylthiophene;3,4-ditert-butyl-1-methyl-5-methylidene-1,2,4-triazole;2,5-ditert-butyl-4-methyl-1,3-oxazole;4,5-ditert-butyl-2-methyl-1,3-oxazole;2,4-ditert-butyl-5-methyl-1,3-thiazole;4,5-ditert-butyl-2-methyl-1,3-thiazole;3,4-ditert-butyl-5-methyl-1,2,4-triazole;4,5-ditert-butyl-2-methyltriazole;2,5-ditert-butyl-1,3,4-oxadiazole?

4,5-ditert-butyl-1,2-dimethylimidazole;3,5-ditert-butyl-1,4-dimethylpyrazole;2,5-ditert-butyl-3,4-dimethylthiophene;3,4-ditert-butyl-1-methyl-5-methylidene-1,2,4-triazole;2,5-ditert-butyl-4-methyl-1,3-oxazole;4,5-ditert-butyl-2-methyl-1,3-oxazole;2,4-ditert-butyl-5-methyl-1,3-thiazole;4,5-ditert-butyl-2-methyl-1,3-thiazole;3,4-ditert-butyl-5-methyl-1,2,4-triazole;4,5-ditert-butyl-2-methyltriazole;2,5-ditert-butyl-1,3,4-oxadiazole has a molecular weight of 2236.69 g/mol, XLogP of 37.43, 0 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 4,5-ditert-butyl-1,2-dimethylimidazole;3,5-ditert-butyl-1,4-dimethylpyrazole;2,5-ditert-butyl-3,4-dimethylthiophene;3,4-ditert-butyl-1-methyl-5-methylidene-1,2,4-triazole;2,5-ditert-butyl-4-methyl-1,3-oxazole;4,5-ditert-butyl-2-methyl-1,3-oxazole;2,4-ditert-butyl-5-methyl-1,3-thiazole;4,5-ditert-butyl-2-methyl-1,3-thiazole;3,4-ditert-butyl-5-methyl-1,2,4-triazole;4,5-ditert-butyl-2-methyltriazole;2,5-ditert-butyl-1,3,4-oxadiazole is sourced from PubChem (CID 159341173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).