1,4-dimethyl-5-propan-2-ylimidazole;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1,4-dimethyl-5-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1,2-thiazole;1,4-dimethyl-5-propan-2-yltriazole;3-ethyl-5-methyl-4-propan-2-yl-1,2-oxazole;5-ethyl-3-methyl-4-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-yl-1,2-thiazole;3-methyl-4-propan-2-yl-1,2,4-triazole

C70H119N15O3S2 — CID 159640843

About 1,4-dimethyl-5-propan-2-ylimidazole;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1,4-dimethyl-5-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1,2-thiazole;1,4-dimethyl-5-propan-2-yltriazole;3-ethyl-5-methyl-4-propan-2-yl-1,2-oxazole;5-ethyl-3-methyl-4-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-yl-1,2-thiazole;3-methyl-4-propan-2-yl-1,2,4-triazole

1,4-dimethyl-5-propan-2-ylimidazole;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1,4-dimethyl-5-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1,2-thiazole;1,4-dimethyl-5-propan-2-yltriazole;3-ethyl-5-methyl-4-propan-2-yl-1,2-oxazole;5-ethyl-3-methyl-4-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-yl-1,2-thiazole;3-methyl-4-propan-2-yl-1,2,4-triazole (PubChem CID 159640843) has the molecular formula C70H119N15O3S2 and a molecular weight of 1282.96 g/mol. Its IUPAC name is 1,4-dimethyl-5-propan-2-ylimidazole;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1,4-dimethyl-5-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1,2-thiazole;1,4-dimethyl-5-propan-2-yltriazole;3-ethyl-5-methyl-4-propan-2-yl-1,2-oxazole;5-ethyl-3-methyl-4-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-yl-1,2-thiazole;3-methyl-4-propan-2-yl-1,2,4-triazole.

Molecular Properties

• Compound Name: 1,4-dimethyl-5-propan-2-ylimidazole;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1,4-dimethyl-5-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1,2-thiazole;1,4-dimethyl-5-propan-2-yltriazole;3-ethyl-5-methyl-4-propan-2-yl-1,2-oxazole;5-ethyl-3-methyl-4-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-yl-1,2-thiazole;3-methyl-4-propan-2-yl-1,2,4-triazole
• PubChem CID: 159640843
• Molecular Formula: C70H119N15O3S2
• Molecular Weight: 1282.96 g/mol
• Exact Mass: 1281.91
• IUPAC Name: 1,4-dimethyl-5-propan-2-ylimidazole;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1,4-dimethyl-5-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1,2-thiazole;1,4-dimethyl-5-propan-2-yltriazole;3-ethyl-5-methyl-4-propan-2-yl-1,2-oxazole;5-ethyl-3-methyl-4-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-yl-1,2-thiazole;3-methyl-4-propan-2-yl-1,2,4-triazole
• SMILES: CCc1noc(C)c1C(C)C.CCc1onc(C)c1C(C)C.Cc1cnn(C)c1C(C)C.Cc1ncn(C)c1C(C)C.Cc1nncn1C(C)C.Cc1nnn(C)c1C(C)C.Cc1noc(C)c1C(C)C.Cc1nsc(C)c1C(C)C.Cc1nscc1C(C)C
• InChI: InChI=1S/2C9H15NO.2C8H14N2.C8H13NO.C8H13NS.C7H13N3.C7H11NS.C6H11N3/c1-5-8-9(6(2)3)7(4)11-10-8;1-5-8-9(6(2)3)7(4)10-11-8;1-6(2)8-7(3)9-5-10(8)4;1-6(2)8-7(3)5-9-10(8)4;2*1-5(2)8-6(3)9-10-7(8)4;1-5(2)7-6(3)8-9-10(7)4;1-5(2)7-4-9-8-6(7)3;1-5(2)9-4-7-8-6(9)3/h2*6H,5H2,1-4H3;2*5-6H,1-4H3;3*5H,1-4H3;2*4-5H,1-3H3
• InChIKey: MQIKOXNXQLCZDS-UHFFFAOYSA-N
• XLogP: 19.33
• TPSA: 200.93 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 11
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1282.96
LogP ≤ 5	19.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-5-propan-2-ylimidazole;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1,4-dimethyl-5-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1,2-thiazole;1,4-dimethyl-5-propan-2-yltriazole;3-ethyl-5-methyl-4-propan-2-yl-1,2-oxazole;5-ethyl-3-methyl-4-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-yl-1,2-thiazole;3-methyl-4-propan-2-yl-1,2,4-triazole?

The IUPAC name of 1,4-dimethyl-5-propan-2-ylimidazole;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1,4-dimethyl-5-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1,2-thiazole;1,4-dimethyl-5-propan-2-yltriazole;3-ethyl-5-methyl-4-propan-2-yl-1,2-oxazole;5-ethyl-3-methyl-4-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-yl-1,2-thiazole;3-methyl-4-propan-2-yl-1,2,4-triazole (CID 159640843) is 1,4-dimethyl-5-propan-2-ylimidazole;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1,4-dimethyl-5-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1,2-thiazole;1,4-dimethyl-5-propan-2-yltriazole;3-ethyl-5-methyl-4-propan-2-yl-1,2-oxazole;5-ethyl-3-methyl-4-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-yl-1,2-thiazole;3-methyl-4-propan-2-yl-1,2,4-triazole.

What is the SMILES notation for 1,4-dimethyl-5-propan-2-ylimidazole;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1,4-dimethyl-5-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1,2-thiazole;1,4-dimethyl-5-propan-2-yltriazole;3-ethyl-5-methyl-4-propan-2-yl-1,2-oxazole;5-ethyl-3-methyl-4-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-yl-1,2-thiazole;3-methyl-4-propan-2-yl-1,2,4-triazole?

The canonical SMILES for 1,4-dimethyl-5-propan-2-ylimidazole;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1,4-dimethyl-5-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1,2-thiazole;1,4-dimethyl-5-propan-2-yltriazole;3-ethyl-5-methyl-4-propan-2-yl-1,2-oxazole;5-ethyl-3-methyl-4-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-yl-1,2-thiazole;3-methyl-4-propan-2-yl-1,2,4-triazole is CCc1noc(C)c1C(C)C.CCc1onc(C)c1C(C)C.Cc1cnn(C)c1C(C)C.Cc1ncn(C)c1C(C)C.Cc1nncn1C(C)C.Cc1nnn(C)c1C(C)C.Cc1noc(C)c1C(C)C.Cc1nsc(C)c1C(C)C.Cc1nscc1C(C)C.

What is the InChIKey of 1,4-dimethyl-5-propan-2-ylimidazole;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1,4-dimethyl-5-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1,2-thiazole;1,4-dimethyl-5-propan-2-yltriazole;3-ethyl-5-methyl-4-propan-2-yl-1,2-oxazole;5-ethyl-3-methyl-4-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-yl-1,2-thiazole;3-methyl-4-propan-2-yl-1,2,4-triazole?

The InChIKey is MQIKOXNXQLCZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H15NO.2C8H14N2.C8H13NO.C8H13NS.C7H13N3.C7H11NS.C6H11N3/c1-5-8-9(6(2)3)7(4)11-10-8;1-5-8-9(6(2)3)7(4)10-11-8;1-6(2)8-7(3)9-5-10(8)4;1-6(2)8-7(3)5-9-10(8)4;2*1-5(2)8-6(3)9-10-7(8)4;1-5(2)7-6(3)8-9-10(7)4;1-5(2)7-4-9-8-6(7)3;1-5(2)9-4-7-8-6(9)3/h2*6H,5H2,1-4H3;2*5-6H,1-4H3;3*5H,1-4H3;2*4-5H,1-3H3.

What are the key properties of 1,4-dimethyl-5-propan-2-ylimidazole;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1,4-dimethyl-5-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1,2-thiazole;1,4-dimethyl-5-propan-2-yltriazole;3-ethyl-5-methyl-4-propan-2-yl-1,2-oxazole;5-ethyl-3-methyl-4-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-yl-1,2-thiazole;3-methyl-4-propan-2-yl-1,2,4-triazole?

1,4-dimethyl-5-propan-2-ylimidazole;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1,4-dimethyl-5-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1,2-thiazole;1,4-dimethyl-5-propan-2-yltriazole;3-ethyl-5-methyl-4-propan-2-yl-1,2-oxazole;5-ethyl-3-methyl-4-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-yl-1,2-thiazole;3-methyl-4-propan-2-yl-1,2,4-triazole has a molecular weight of 1282.96 g/mol, XLogP of 19.33, 11 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 1,4-dimethyl-5-propan-2-ylimidazole;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1,4-dimethyl-5-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1,2-thiazole;1,4-dimethyl-5-propan-2-yltriazole;3-ethyl-5-methyl-4-propan-2-yl-1,2-oxazole;5-ethyl-3-methyl-4-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-yl-1,2-thiazole;3-methyl-4-propan-2-yl-1,2,4-triazole is sourced from PubChem (CID 159640843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).