2-tert-butyl-5-ethyl-1H-imidazole;2-tert-butyl-5-methyl-1H-imidazole;4-tert-butyl-2-methyl-1,3-oxazole;4-tert-butyl-2-methyl-1,3-thiazole;3-tert-butyl-1,2,5-thiadiazole;4-tert-butyl-1,3-thiazole;2,5-ditert-butyl-1H-imidazole;2,4-ditert-butyl-1,3-oxazole

C68H116N12O2S3 — CID 160521823

About 2-tert-butyl-5-ethyl-1H-imidazole;2-tert-butyl-5-methyl-1H-imidazole;4-tert-butyl-2-methyl-1,3-oxazole;4-tert-butyl-2-methyl-1,3-thiazole;3-tert-butyl-1,2,5-thiadiazole;4-tert-butyl-1,3-thiazole;2,5-ditert-butyl-1H-imidazole;2,4-ditert-butyl-1,3-oxazole

2-tert-butyl-5-ethyl-1H-imidazole;2-tert-butyl-5-methyl-1H-imidazole;4-tert-butyl-2-methyl-1,3-oxazole;4-tert-butyl-2-methyl-1,3-thiazole;3-tert-butyl-1,2,5-thiadiazole;4-tert-butyl-1,3-thiazole;2,5-ditert-butyl-1H-imidazole;2,4-ditert-butyl-1,3-oxazole (PubChem CID 160521823) has the molecular formula C68H116N12O2S3 and a molecular weight of 1229.96 g/mol. Its IUPAC name is 2-tert-butyl-5-ethyl-1H-imidazole;2-tert-butyl-5-methyl-1H-imidazole;4-tert-butyl-2-methyl-1,3-oxazole;4-tert-butyl-2-methyl-1,3-thiazole;3-tert-butyl-1,2,5-thiadiazole;4-tert-butyl-1,3-thiazole;2,5-ditert-butyl-1H-imidazole;2,4-ditert-butyl-1,3-oxazole.

Molecular Properties

• Compound Name: 2-tert-butyl-5-ethyl-1H-imidazole;2-tert-butyl-5-methyl-1H-imidazole;4-tert-butyl-2-methyl-1,3-oxazole;4-tert-butyl-2-methyl-1,3-thiazole;3-tert-butyl-1,2,5-thiadiazole;4-tert-butyl-1,3-thiazole;2,5-ditert-butyl-1H-imidazole;2,4-ditert-butyl-1,3-oxazole
• PubChem CID: 160521823
• Molecular Formula: C68H116N12O2S3
• Molecular Weight: 1229.96 g/mol
• Exact Mass: 1228.85
• IUPAC Name: 2-tert-butyl-5-ethyl-1H-imidazole;2-tert-butyl-5-methyl-1H-imidazole;4-tert-butyl-2-methyl-1,3-oxazole;4-tert-butyl-2-methyl-1,3-thiazole;3-tert-butyl-1,2,5-thiadiazole;4-tert-butyl-1,3-thiazole;2,5-ditert-butyl-1H-imidazole;2,4-ditert-butyl-1,3-oxazole
• SMILES: CC(C)(C)c1cnc(C(C)(C)C)[nH]1.CC(C)(C)c1cnsn1.CC(C)(C)c1coc(C(C)(C)C)n1.CC(C)(C)c1cscn1.CCc1cnc(C(C)(C)C)[nH]1.Cc1cnc(C(C)(C)C)[nH]1.Cc1nc(C(C)(C)C)co1.Cc1nc(C(C)(C)C)cs1
• InChI: InChI=1S/C11H20N2.C11H19NO.C9H16N2.C8H14N2.C8H13NO.C8H13NS.C7H11NS.C6H10N2S/c1-10(2,3)8-7-12-9(13-8)11(4,5)6;1-10(2,3)8-7-13-9(12-8)11(4,5)6;1-5-7-6-10-8(11-7)9(2,3)4;1-6-5-9-7(10-6)8(2,3)4;2*1-6-9-7(5-10-6)8(2,3)4;1-7(2,3)6-4-9-5-8-6;1-6(2,3)5-4-7-9-8-5/h7H,1-6H3,(H,12,13);7H,1-6H3;6H,5H2,1-4H3,(H,10,11);5H,1-4H3,(H,9,10);2*5H,1-4H3;4-5H,1-3H3;4H,1-3H3
• InChIKey: QUJJSYBREQYZSS-UHFFFAOYSA-N
• XLogP: 19.87
• TPSA: 189.66 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 1
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1229.96
LogP ≤ 5	19.87
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-ethyl-1H-imidazole;2-tert-butyl-5-methyl-1H-imidazole;4-tert-butyl-2-methyl-1,3-oxazole;4-tert-butyl-2-methyl-1,3-thiazole;3-tert-butyl-1,2,5-thiadiazole;4-tert-butyl-1,3-thiazole;2,5-ditert-butyl-1H-imidazole;2,4-ditert-butyl-1,3-oxazole?

The IUPAC name of 2-tert-butyl-5-ethyl-1H-imidazole;2-tert-butyl-5-methyl-1H-imidazole;4-tert-butyl-2-methyl-1,3-oxazole;4-tert-butyl-2-methyl-1,3-thiazole;3-tert-butyl-1,2,5-thiadiazole;4-tert-butyl-1,3-thiazole;2,5-ditert-butyl-1H-imidazole;2,4-ditert-butyl-1,3-oxazole (CID 160521823) is 2-tert-butyl-5-ethyl-1H-imidazole;2-tert-butyl-5-methyl-1H-imidazole;4-tert-butyl-2-methyl-1,3-oxazole;4-tert-butyl-2-methyl-1,3-thiazole;3-tert-butyl-1,2,5-thiadiazole;4-tert-butyl-1,3-thiazole;2,5-ditert-butyl-1H-imidazole;2,4-ditert-butyl-1,3-oxazole.

What is the SMILES notation for 2-tert-butyl-5-ethyl-1H-imidazole;2-tert-butyl-5-methyl-1H-imidazole;4-tert-butyl-2-methyl-1,3-oxazole;4-tert-butyl-2-methyl-1,3-thiazole;3-tert-butyl-1,2,5-thiadiazole;4-tert-butyl-1,3-thiazole;2,5-ditert-butyl-1H-imidazole;2,4-ditert-butyl-1,3-oxazole?

The canonical SMILES for 2-tert-butyl-5-ethyl-1H-imidazole;2-tert-butyl-5-methyl-1H-imidazole;4-tert-butyl-2-methyl-1,3-oxazole;4-tert-butyl-2-methyl-1,3-thiazole;3-tert-butyl-1,2,5-thiadiazole;4-tert-butyl-1,3-thiazole;2,5-ditert-butyl-1H-imidazole;2,4-ditert-butyl-1,3-oxazole is CC(C)(C)c1cnc(C(C)(C)C)[nH]1.CC(C)(C)c1cnsn1.CC(C)(C)c1coc(C(C)(C)C)n1.CC(C)(C)c1cscn1.CCc1cnc(C(C)(C)C)[nH]1.Cc1cnc(C(C)(C)C)[nH]1.Cc1nc(C(C)(C)C)co1.Cc1nc(C(C)(C)C)cs1.

What is the InChIKey of 2-tert-butyl-5-ethyl-1H-imidazole;2-tert-butyl-5-methyl-1H-imidazole;4-tert-butyl-2-methyl-1,3-oxazole;4-tert-butyl-2-methyl-1,3-thiazole;3-tert-butyl-1,2,5-thiadiazole;4-tert-butyl-1,3-thiazole;2,5-ditert-butyl-1H-imidazole;2,4-ditert-butyl-1,3-oxazole?

The InChIKey is QUJJSYBREQYZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2.C11H19NO.C9H16N2.C8H14N2.C8H13NO.C8H13NS.C7H11NS.C6H10N2S/c1-10(2,3)8-7-12-9(13-8)11(4,5)6;1-10(2,3)8-7-13-9(12-8)11(4,5)6;1-5-7-6-10-8(11-7)9(2,3)4;1-6-5-9-7(10-6)8(2,3)4;2*1-6-9-7(5-10-6)8(2,3)4;1-7(2,3)6-4-9-5-8-6;1-6(2,3)5-4-7-9-8-5/h7H,1-6H3,(H,12,13);7H,1-6H3;6H,5H2,1-4H3,(H,10,11);5H,1-4H3,(H,9,10);2*5H,1-4H3;4-5H,1-3H3;4H,1-3H3.

What are the key properties of 2-tert-butyl-5-ethyl-1H-imidazole;2-tert-butyl-5-methyl-1H-imidazole;4-tert-butyl-2-methyl-1,3-oxazole;4-tert-butyl-2-methyl-1,3-thiazole;3-tert-butyl-1,2,5-thiadiazole;4-tert-butyl-1,3-thiazole;2,5-ditert-butyl-1H-imidazole;2,4-ditert-butyl-1,3-oxazole?

2-tert-butyl-5-ethyl-1H-imidazole;2-tert-butyl-5-methyl-1H-imidazole;4-tert-butyl-2-methyl-1,3-oxazole;4-tert-butyl-2-methyl-1,3-thiazole;3-tert-butyl-1,2,5-thiadiazole;4-tert-butyl-1,3-thiazole;2,5-ditert-butyl-1H-imidazole;2,4-ditert-butyl-1,3-oxazole has a molecular weight of 1229.96 g/mol, XLogP of 19.87, 1 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-5-ethyl-1H-imidazole;2-tert-butyl-5-methyl-1H-imidazole;4-tert-butyl-2-methyl-1,3-oxazole;4-tert-butyl-2-methyl-1,3-thiazole;3-tert-butyl-1,2,5-thiadiazole;4-tert-butyl-1,3-thiazole;2,5-ditert-butyl-1H-imidazole;2,4-ditert-butyl-1,3-oxazole is sourced from PubChem (CID 160521823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).