2-tert-butyl-4H-imidazole;5-tert-butyl-4H-imidazole;3-tert-butyl-1,2,4-oxadiazole;4-tert-butyloxadiazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;3-tert-butyl-4H-pyrazole;5-tert-butyl-2H-pyrrole;5-tert-butyl-2H-tetrazole;3-tert-butyl-1,2,4-thiadiazole;4-tert-butylthiadiazole;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-3H-1,2,4-triazole;5-tert-butyl-4H-triazole;ethane;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,5-triazine;6-propan-2-yl-1,2,4-triazine

C₁₉₈H₃₈₃N₄₅O₅S₅ — CID 158057612

About 2-tert-butyl-4H-imidazole;5-tert-butyl-4H-imidazole;3-tert-butyl-1,2,4-oxadiazole;4-tert-butyloxadiazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;3-tert-butyl-4H-pyrazole;5-tert-butyl-2H-pyrrole;5-tert-butyl-2H-tetrazole;3-tert-butyl-1,2,4-thiadiazole;4-tert-butylthiadiazole;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-3H-1,2,4-triazole;5-tert-butyl-4H-triazole;ethane;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,5-triazine;6-propan-2-yl-1,2,4-triazine

2-tert-butyl-4H-imidazole;5-tert-butyl-4H-imidazole;3-tert-butyl-1,2,4-oxadiazole;4-tert-butyloxadiazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;3-tert-butyl-4H-pyrazole;5-tert-butyl-2H-pyrrole;5-tert-butyl-2H-tetrazole;3-tert-butyl-1,2,4-thiadiazole;4-tert-butylthiadiazole;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-3H-1,2,4-triazole;5-tert-butyl-4H-triazole;ethane;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,5-triazine;6-propan-2-yl-1,2,4-triazine (PubChem CID 158057612) has the molecular formula C₁₉₈H₃₈₃N₄₅O₅S₅ and a molecular weight of 3634.89 g/mol. Its IUPAC name is 2-tert-butyl-4H-imidazole;5-tert-butyl-4H-imidazole;3-tert-butyl-1,2,4-oxadiazole;4-tert-butyloxadiazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;3-tert-butyl-4H-pyrazole;5-tert-butyl-2H-pyrrole;5-tert-butyl-2H-tetrazole;3-tert-butyl-1,2,4-thiadiazole;4-tert-butylthiadiazole;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-3H-1,2,4-triazole;5-tert-butyl-4H-triazole;ethane;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,5-triazine;6-propan-2-yl-1,2,4-triazine.

Molecular Properties

• Compound Name: 2-tert-butyl-4H-imidazole;5-tert-butyl-4H-imidazole;3-tert-butyl-1,2,4-oxadiazole;4-tert-butyloxadiazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;3-tert-butyl-4H-pyrazole;5-tert-butyl-2H-pyrrole;5-tert-butyl-2H-tetrazole;3-tert-butyl-1,2,4-thiadiazole;4-tert-butylthiadiazole;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-3H-1,2,4-triazole;5-tert-butyl-4H-triazole;ethane;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,5-triazine;6-propan-2-yl-1,2,4-triazine
• PubChem CID: 158057612
• Molecular Formula: C₁₉₈H₃₈₃N₄₅O₅S₅
• Molecular Weight: 3634.89 g/mol
• Exact Mass: 3631.97
• IUPAC Name: 2-tert-butyl-4H-imidazole;5-tert-butyl-4H-imidazole;3-tert-butyl-1,2,4-oxadiazole;4-tert-butyloxadiazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;3-tert-butyl-4H-pyrazole;5-tert-butyl-2H-pyrrole;5-tert-butyl-2H-tetrazole;3-tert-butyl-1,2,4-thiadiazole;4-tert-butylthiadiazole;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-3H-1,2,4-triazole;5-tert-butyl-4H-triazole;ethane;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,5-triazine;6-propan-2-yl-1,2,4-triazine
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)C1=NC=NC1.CC(C)(C)C1=NCC=C1.CC(C)(C)C1=NCC=N1.CC(C)(C)C1=NCN=N1.CC(C)(C)C1=NN=CC1.CC(C)(C)C1=NN=NC1.CC(C)(C)c1ccon1.CC(C)(C)c1ccsn1.CC(C)(C)c1cocn1.CC(C)(C)c1conn1.CC(C)(C)c1cscn1.CC(C)(C)c1csnn1.CC(C)(C)c1ncco1.CC(C)(C)c1nccs1.CC(C)(C)c1ncon1.CC(C)(C)c1ncsn1.CC(C)(C)c1nn[nH]n1.CC(C)c1cccnn1.CC(C)c1ccncn1.CC(C)c1cnccn1.CC(C)c1cncnn1.CC(C)c1ncccn1.CC(C)c1ncncn1
• InChI: InChI=1S/C8H13N.3C7H12N2.4C7H10N2.3C7H11NO.3C7H11NS.2C6H11N3.2C6H9N3.2C6H10N2O.2C6H10N2S.C5H10N4.23C2H6/c1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-5-8-9-6;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-9-7;1-6(2)7-8-4-3-5-9-7;1-6(2)7-4-3-5-8-9-7;1-7(2,3)6-4-9-5-8-6;1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-5-9-8-6;1-7(2,3)6-4-9-5-8-6;1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-5-9-8-6;1-6(2,3)5-7-4-8-9-5;1-6(2,3)5-4-7-9-8-5;1-5(2)6-8-3-7-4-9-6;1-5(2)6-3-7-4-8-9-6;1-6(2,3)5-7-4-9-8-5;1-6(2,3)5-4-9-8-7-5;1-6(2,3)5-7-4-9-8-5;1-6(2,3)5-4-9-8-7-5;1-5(2,3)4-6-8-9-7-4;23*1-2/h4-5H,6H2,1-3H3;5H,4H2,1-3H3;4H,5H2,1-3H3;5H,4H2,1-3H3;4*3-6H,1-2H3;6*4-5H,1-3H3;2*4H2,1-3H3;2*3-5H,1-2H3;4*4H,1-3H3;1-3H3,(H,6,7,8,9);23*1-2H3
• InChIKey: FKGFBWOWCXHSOD-UHFFFAOYSA-N
• XLogP: 62.78
• TPSA: 641.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 54
• Rotatable Bonds: 6
• Heavy Atoms: 253
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3634.89
LogP ≤ 5	62.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	54

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4H-imidazole;5-tert-butyl-4H-imidazole;3-tert-butyl-1,2,4-oxadiazole;4-tert-butyloxadiazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;3-tert-butyl-4H-pyrazole;5-tert-butyl-2H-pyrrole;5-tert-butyl-2H-tetrazole;3-tert-butyl-1,2,4-thiadiazole;4-tert-butylthiadiazole;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-3H-1,2,4-triazole;5-tert-butyl-4H-triazole;ethane;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,5-triazine;6-propan-2-yl-1,2,4-triazine?

The IUPAC name of 2-tert-butyl-4H-imidazole;5-tert-butyl-4H-imidazole;3-tert-butyl-1,2,4-oxadiazole;4-tert-butyloxadiazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;3-tert-butyl-4H-pyrazole;5-tert-butyl-2H-pyrrole;5-tert-butyl-2H-tetrazole;3-tert-butyl-1,2,4-thiadiazole;4-tert-butylthiadiazole;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-3H-1,2,4-triazole;5-tert-butyl-4H-triazole;ethane;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,5-triazine;6-propan-2-yl-1,2,4-triazine (CID 158057612) is 2-tert-butyl-4H-imidazole;5-tert-butyl-4H-imidazole;3-tert-butyl-1,2,4-oxadiazole;4-tert-butyloxadiazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;3-tert-butyl-4H-pyrazole;5-tert-butyl-2H-pyrrole;5-tert-butyl-2H-tetrazole;3-tert-butyl-1,2,4-thiadiazole;4-tert-butylthiadiazole;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-3H-1,2,4-triazole;5-tert-butyl-4H-triazole;ethane;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,5-triazine;6-propan-2-yl-1,2,4-triazine.

What is the SMILES notation for 2-tert-butyl-4H-imidazole;5-tert-butyl-4H-imidazole;3-tert-butyl-1,2,4-oxadiazole;4-tert-butyloxadiazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;3-tert-butyl-4H-pyrazole;5-tert-butyl-2H-pyrrole;5-tert-butyl-2H-tetrazole;3-tert-butyl-1,2,4-thiadiazole;4-tert-butylthiadiazole;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-3H-1,2,4-triazole;5-tert-butyl-4H-triazole;ethane;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,5-triazine;6-propan-2-yl-1,2,4-triazine?

The canonical SMILES for 2-tert-butyl-4H-imidazole;5-tert-butyl-4H-imidazole;3-tert-butyl-1,2,4-oxadiazole;4-tert-butyloxadiazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;3-tert-butyl-4H-pyrazole;5-tert-butyl-2H-pyrrole;5-tert-butyl-2H-tetrazole;3-tert-butyl-1,2,4-thiadiazole;4-tert-butylthiadiazole;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-3H-1,2,4-triazole;5-tert-butyl-4H-triazole;ethane;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,5-triazine;6-propan-2-yl-1,2,4-triazine is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)C1=NC=NC1.CC(C)(C)C1=NCC=C1.CC(C)(C)C1=NCC=N1.CC(C)(C)C1=NCN=N1.CC(C)(C)C1=NN=CC1.CC(C)(C)C1=NN=NC1.CC(C)(C)c1ccon1.CC(C)(C)c1ccsn1.CC(C)(C)c1cocn1.CC(C)(C)c1conn1.CC(C)(C)c1cscn1.CC(C)(C)c1csnn1.CC(C)(C)c1ncco1.CC(C)(C)c1nccs1.CC(C)(C)c1ncon1.CC(C)(C)c1ncsn1.CC(C)(C)c1nn[nH]n1.CC(C)c1cccnn1.CC(C)c1ccncn1.CC(C)c1cnccn1.CC(C)c1cncnn1.CC(C)c1ncccn1.CC(C)c1ncncn1.

What is the InChIKey of 2-tert-butyl-4H-imidazole;5-tert-butyl-4H-imidazole;3-tert-butyl-1,2,4-oxadiazole;4-tert-butyloxadiazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;3-tert-butyl-4H-pyrazole;5-tert-butyl-2H-pyrrole;5-tert-butyl-2H-tetrazole;3-tert-butyl-1,2,4-thiadiazole;4-tert-butylthiadiazole;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-3H-1,2,4-triazole;5-tert-butyl-4H-triazole;ethane;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,5-triazine;6-propan-2-yl-1,2,4-triazine?

The InChIKey is FKGFBWOWCXHSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N.3C7H12N2.4C7H10N2.3C7H11NO.3C7H11NS.2C6H11N3.2C6H9N3.2C6H10N2O.2C6H10N2S.C5H10N4.23C2H6/c1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-5-8-9-6;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-9-7;1-6(2)7-8-4-3-5-9-7;1-6(2)7-4-3-5-8-9-7;1-7(2,3)6-4-9-5-8-6;1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-5-9-8-6;1-7(2,3)6-4-9-5-8-6;1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-5-9-8-6;1-6(2,3)5-7-4-8-9-5;1-6(2,3)5-4-7-9-8-5;1-5(2)6-8-3-7-4-9-6;1-5(2)6-3-7-4-8-9-6;1-6(2,3)5-7-4-9-8-5;1-6(2,3)5-4-9-8-7-5;1-6(2,3)5-7-4-9-8-5;1-6(2,3)5-4-9-8-7-5;1-5(2,3)4-6-8-9-7-4;23*1-2/h4-5H,6H2,1-3H3;5H,4H2,1-3H3;4H,5H2,1-3H3;5H,4H2,1-3H3;4*3-6H,1-2H3;6*4-5H,1-3H3;2*4H2,1-3H3;2*3-5H,1-2H3;4*4H,1-3H3;1-3H3,(H,6,7,8,9);23*1-2H3.

What are the key properties of 2-tert-butyl-4H-imidazole;5-tert-butyl-4H-imidazole;3-tert-butyl-1,2,4-oxadiazole;4-tert-butyloxadiazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;3-tert-butyl-4H-pyrazole;5-tert-butyl-2H-pyrrole;5-tert-butyl-2H-tetrazole;3-tert-butyl-1,2,4-thiadiazole;4-tert-butylthiadiazole;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-3H-1,2,4-triazole;5-tert-butyl-4H-triazole;ethane;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,5-triazine;6-propan-2-yl-1,2,4-triazine?

2-tert-butyl-4H-imidazole;5-tert-butyl-4H-imidazole;3-tert-butyl-1,2,4-oxadiazole;4-tert-butyloxadiazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;3-tert-butyl-4H-pyrazole;5-tert-butyl-2H-pyrrole;5-tert-butyl-2H-tetrazole;3-tert-butyl-1,2,4-thiadiazole;4-tert-butylthiadiazole;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-3H-1,2,4-triazole;5-tert-butyl-4H-triazole;ethane;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,5-triazine;6-propan-2-yl-1,2,4-triazine has a molecular weight of 3634.89 g/mol, XLogP of 62.78, 6 rotatable bonds, 1 hydrogen bond donors, and 54 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-4H-imidazole;5-tert-butyl-4H-imidazole;3-tert-butyl-1,2,4-oxadiazole;4-tert-butyloxadiazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;3-tert-butyl-4H-pyrazole;5-tert-butyl-2H-pyrrole;5-tert-butyl-2H-tetrazole;3-tert-butyl-1,2,4-thiadiazole;4-tert-butylthiadiazole;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-3H-1,2,4-triazole;5-tert-butyl-4H-triazole;ethane;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,5-triazine;6-propan-2-yl-1,2,4-triazine is sourced from PubChem (CID 158057612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158057612 — identifiers, structure, computed properties (public domain)

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