3,5-dimethyl-1,2,4-oxadiazole;1,2,4,5-tetramethylimidazole;1,3,4,5-tetramethylpyrazole;2,4,5-trimethyl-1H-imidazole;2,4,5-trimethyl-1,3-oxazole;3,4,5-trimethyl-1H-pyrazole;2,4,5-trimethyl-1,3-thiazole

C42H68N12O2S — CID 160899363

About 3,5-dimethyl-1,2,4-oxadiazole;1,2,4,5-tetramethylimidazole;1,3,4,5-tetramethylpyrazole;2,4,5-trimethyl-1H-imidazole;2,4,5-trimethyl-1,3-oxazole;3,4,5-trimethyl-1H-pyrazole;2,4,5-trimethyl-1,3-thiazole

3,5-dimethyl-1,2,4-oxadiazole;1,2,4,5-tetramethylimidazole;1,3,4,5-tetramethylpyrazole;2,4,5-trimethyl-1H-imidazole;2,4,5-trimethyl-1,3-oxazole;3,4,5-trimethyl-1H-pyrazole;2,4,5-trimethyl-1,3-thiazole (PubChem CID 160899363) has the molecular formula C42H68N12O2S and a molecular weight of 805.15 g/mol. Its IUPAC name is 3,5-dimethyl-1,2,4-oxadiazole;1,2,4,5-tetramethylimidazole;1,3,4,5-tetramethylpyrazole;2,4,5-trimethyl-1H-imidazole;2,4,5-trimethyl-1,3-oxazole;3,4,5-trimethyl-1H-pyrazole;2,4,5-trimethyl-1,3-thiazole.

Molecular Properties

• Compound Name: 3,5-dimethyl-1,2,4-oxadiazole;1,2,4,5-tetramethylimidazole;1,3,4,5-tetramethylpyrazole;2,4,5-trimethyl-1H-imidazole;2,4,5-trimethyl-1,3-oxazole;3,4,5-trimethyl-1H-pyrazole;2,4,5-trimethyl-1,3-thiazole
• PubChem CID: 160899363
• Molecular Formula: C42H68N12O2S
• Molecular Weight: 805.15 g/mol
• Exact Mass: 804.53
• IUPAC Name: 3,5-dimethyl-1,2,4-oxadiazole;1,2,4,5-tetramethylimidazole;1,3,4,5-tetramethylpyrazole;2,4,5-trimethyl-1H-imidazole;2,4,5-trimethyl-1,3-oxazole;3,4,5-trimethyl-1H-pyrazole;2,4,5-trimethyl-1,3-thiazole
• SMILES: Cc1n[nH]c(C)c1C.Cc1nc(C)c(C)[nH]1.Cc1nc(C)c(C)o1.Cc1nc(C)c(C)s1.Cc1nc(C)n(C)c1C.Cc1nn(C)c(C)c1C.Cc1noc(C)n1
• InChI: InChI=1S/2C7H12N2.2C6H10N2.C6H9NO.C6H9NS.C4H6N2O/c1-5-6(2)9(4)7(3)8-5;1-5-6(2)8-9(4)7(5)3;1-4-5(2)8-6(3)7-4;1-4-5(2)7-8-6(4)3;2*1-4-5(2)8-6(3)7-4;1-3-5-4(2)7-6-3/h2*1-4H3;2*1-3H3,(H,7,8);2*1-3H3;1-2H3
• InChIKey: SPHGPYKEEIIFPC-UHFFFAOYSA-N
• XLogP: 9.72
• TPSA: 170.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	805.15
LogP ≤ 5	9.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1,2,4-oxadiazole;1,2,4,5-tetramethylimidazole;1,3,4,5-tetramethylpyrazole;2,4,5-trimethyl-1H-imidazole;2,4,5-trimethyl-1,3-oxazole;3,4,5-trimethyl-1H-pyrazole;2,4,5-trimethyl-1,3-thiazole?

The IUPAC name of 3,5-dimethyl-1,2,4-oxadiazole;1,2,4,5-tetramethylimidazole;1,3,4,5-tetramethylpyrazole;2,4,5-trimethyl-1H-imidazole;2,4,5-trimethyl-1,3-oxazole;3,4,5-trimethyl-1H-pyrazole;2,4,5-trimethyl-1,3-thiazole (CID 160899363) is 3,5-dimethyl-1,2,4-oxadiazole;1,2,4,5-tetramethylimidazole;1,3,4,5-tetramethylpyrazole;2,4,5-trimethyl-1H-imidazole;2,4,5-trimethyl-1,3-oxazole;3,4,5-trimethyl-1H-pyrazole;2,4,5-trimethyl-1,3-thiazole.

What is the SMILES notation for 3,5-dimethyl-1,2,4-oxadiazole;1,2,4,5-tetramethylimidazole;1,3,4,5-tetramethylpyrazole;2,4,5-trimethyl-1H-imidazole;2,4,5-trimethyl-1,3-oxazole;3,4,5-trimethyl-1H-pyrazole;2,4,5-trimethyl-1,3-thiazole?

The canonical SMILES for 3,5-dimethyl-1,2,4-oxadiazole;1,2,4,5-tetramethylimidazole;1,3,4,5-tetramethylpyrazole;2,4,5-trimethyl-1H-imidazole;2,4,5-trimethyl-1,3-oxazole;3,4,5-trimethyl-1H-pyrazole;2,4,5-trimethyl-1,3-thiazole is Cc1n[nH]c(C)c1C.Cc1nc(C)c(C)[nH]1.Cc1nc(C)c(C)o1.Cc1nc(C)c(C)s1.Cc1nc(C)n(C)c1C.Cc1nn(C)c(C)c1C.Cc1noc(C)n1.

What is the InChIKey of 3,5-dimethyl-1,2,4-oxadiazole;1,2,4,5-tetramethylimidazole;1,3,4,5-tetramethylpyrazole;2,4,5-trimethyl-1H-imidazole;2,4,5-trimethyl-1,3-oxazole;3,4,5-trimethyl-1H-pyrazole;2,4,5-trimethyl-1,3-thiazole?

The InChIKey is SPHGPYKEEIIFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H12N2.2C6H10N2.C6H9NO.C6H9NS.C4H6N2O/c1-5-6(2)9(4)7(3)8-5;1-5-6(2)8-9(4)7(5)3;1-4-5(2)8-6(3)7-4;1-4-5(2)7-8-6(4)3;2*1-4-5(2)8-6(3)7-4;1-3-5-4(2)7-6-3/h2*1-4H3;2*1-3H3,(H,7,8);2*1-3H3;1-2H3.

What are the key properties of 3,5-dimethyl-1,2,4-oxadiazole;1,2,4,5-tetramethylimidazole;1,3,4,5-tetramethylpyrazole;2,4,5-trimethyl-1H-imidazole;2,4,5-trimethyl-1,3-oxazole;3,4,5-trimethyl-1H-pyrazole;2,4,5-trimethyl-1,3-thiazole?

3,5-dimethyl-1,2,4-oxadiazole;1,2,4,5-tetramethylimidazole;1,3,4,5-tetramethylpyrazole;2,4,5-trimethyl-1H-imidazole;2,4,5-trimethyl-1,3-oxazole;3,4,5-trimethyl-1H-pyrazole;2,4,5-trimethyl-1,3-thiazole has a molecular weight of 805.15 g/mol, XLogP of 9.72, 0 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dimethyl-1,2,4-oxadiazole;1,2,4,5-tetramethylimidazole;1,3,4,5-tetramethylpyrazole;2,4,5-trimethyl-1H-imidazole;2,4,5-trimethyl-1,3-oxazole;3,4,5-trimethyl-1H-pyrazole;2,4,5-trimethyl-1,3-thiazole is sourced from PubChem (CID 160899363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).