2-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;3-tert-butylpyridine;4-tert-butyl-2H-pyrrole;4-tert-butyl-3H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;1-tert-butyl-1,2,4-triazole;bis(4-tert-butyl-2H-triazole);bis(5-tert-butyl-1H-1,2,4-triazole)

C106H177N27O3 — CID 157205327

About 2-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;3-tert-butylpyridine;4-tert-butyl-2H-pyrrole;4-tert-butyl-3H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;1-tert-butyl-1,2,4-triazole;bis(4-tert-butyl-2H-triazole);bis(5-tert-butyl-1H-1,2,4-triazole)

2-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;3-tert-butylpyridine;4-tert-butyl-2H-pyrrole;4-tert-butyl-3H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;1-tert-butyl-1,2,4-triazole;bis(4-tert-butyl-2H-triazole);bis(5-tert-butyl-1H-1,2,4-triazole) (PubChem CID 157205327) has the molecular formula C106H177N27O3 and a molecular weight of 1877.77 g/mol. Its IUPAC name is 2-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;3-tert-butylpyridine;4-tert-butyl-2H-pyrrole;4-tert-butyl-3H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;1-tert-butyl-1,2,4-triazole;bis(4-tert-butyl-2H-triazole);bis(5-tert-butyl-1H-1,2,4-triazole).

Molecular Properties

• Compound Name: 2-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;3-tert-butylpyridine;4-tert-butyl-2H-pyrrole;4-tert-butyl-3H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;1-tert-butyl-1,2,4-triazole;bis(4-tert-butyl-2H-triazole);bis(5-tert-butyl-1H-1,2,4-triazole)
• PubChem CID: 157205327
• Molecular Formula: C106H177N27O3
• Molecular Weight: 1877.77 g/mol
• Exact Mass: 1876.45
• IUPAC Name: 2-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;3-tert-butylpyridine;4-tert-butyl-2H-pyrrole;4-tert-butyl-3H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;1-tert-butyl-1,2,4-triazole;bis(4-tert-butyl-2H-triazole);bis(5-tert-butyl-1H-1,2,4-triazole)
• SMILES: CC(C)(C)C1=CCC=N1.CC(C)(C)C1=CCN=C1.CC(C)(C)C1=CN=CC1.CC(C)(C)C1=NCC=C1.CC(C)(C)c1cccnc1.CC(C)(C)c1cn[nH]n1.CC(C)(C)c1cn[nH]n1.CC(C)(C)c1cnco1.CC(C)(C)c1cocn1.CC(C)(C)c1ncc[nH]1.CC(C)(C)c1ncco1.CC(C)(C)c1ncn[nH]1.CC(C)(C)c1ncn[nH]1.CC(C)(C)n1cccn1.CC(C)(C)n1cncn1
• InChI: InChI=1S/C9H13N.4C8H13N.2C7H12N2.3C7H11NO.5C6H11N3/c1-9(2,3)8-5-4-6-10-7-8;2*1-8(2,3)7-4-5-9-6-7;2*1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-8-4-5-9-6;1-7(2,3)9-6-4-5-8-9;1-7(2,3)6-4-9-5-8-6;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-8-4-5-9-6;1-6(2,3)9-5-7-4-8-9;2*1-6(2,3)5-7-4-8-9-5;2*1-6(2,3)5-4-7-9-8-5/h4-7H,1-3H3;5-6H,4H2,1-3H3;4,6H,5H2,1-3H3;5-6H,4H2,1-3H3;4-5H,6H2,1-3H3;4-5H,1-3H3,(H,8,9);4-6H,1-3H3;4*4-5H,1-3H3;4*4H,1-3H3,(H,7,8,9)
• InChIKey: ARGZTRYDNSDCDA-UHFFFAOYSA-N
• XLogP: 25.95
• TPSA: 383.91 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 25
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1877.77
LogP ≤ 5	25.95
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;3-tert-butylpyridine;4-tert-butyl-2H-pyrrole;4-tert-butyl-3H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;1-tert-butyl-1,2,4-triazole;bis(4-tert-butyl-2H-triazole);bis(5-tert-butyl-1H-1,2,4-triazole)?

The IUPAC name of 2-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;3-tert-butylpyridine;4-tert-butyl-2H-pyrrole;4-tert-butyl-3H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;1-tert-butyl-1,2,4-triazole;bis(4-tert-butyl-2H-triazole);bis(5-tert-butyl-1H-1,2,4-triazole) (CID 157205327) is 2-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;3-tert-butylpyridine;4-tert-butyl-2H-pyrrole;4-tert-butyl-3H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;1-tert-butyl-1,2,4-triazole;bis(4-tert-butyl-2H-triazole);bis(5-tert-butyl-1H-1,2,4-triazole).

What is the SMILES notation for 2-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;3-tert-butylpyridine;4-tert-butyl-2H-pyrrole;4-tert-butyl-3H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;1-tert-butyl-1,2,4-triazole;bis(4-tert-butyl-2H-triazole);bis(5-tert-butyl-1H-1,2,4-triazole)?

The canonical SMILES for 2-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;3-tert-butylpyridine;4-tert-butyl-2H-pyrrole;4-tert-butyl-3H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;1-tert-butyl-1,2,4-triazole;bis(4-tert-butyl-2H-triazole);bis(5-tert-butyl-1H-1,2,4-triazole) is CC(C)(C)C1=CCC=N1.CC(C)(C)C1=CCN=C1.CC(C)(C)C1=CN=CC1.CC(C)(C)C1=NCC=C1.CC(C)(C)c1cccnc1.CC(C)(C)c1cn[nH]n1.CC(C)(C)c1cn[nH]n1.CC(C)(C)c1cnco1.CC(C)(C)c1cocn1.CC(C)(C)c1ncc[nH]1.CC(C)(C)c1ncco1.CC(C)(C)c1ncn[nH]1.CC(C)(C)c1ncn[nH]1.CC(C)(C)n1cccn1.CC(C)(C)n1cncn1.

What is the InChIKey of 2-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;3-tert-butylpyridine;4-tert-butyl-2H-pyrrole;4-tert-butyl-3H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;1-tert-butyl-1,2,4-triazole;bis(4-tert-butyl-2H-triazole);bis(5-tert-butyl-1H-1,2,4-triazole)?

The InChIKey is ARGZTRYDNSDCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N.4C8H13N.2C7H12N2.3C7H11NO.5C6H11N3/c1-9(2,3)8-5-4-6-10-7-8;2*1-8(2,3)7-4-5-9-6-7;2*1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-8-4-5-9-6;1-7(2,3)9-6-4-5-8-9;1-7(2,3)6-4-9-5-8-6;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-8-4-5-9-6;1-6(2,3)9-5-7-4-8-9;2*1-6(2,3)5-7-4-8-9-5;2*1-6(2,3)5-4-7-9-8-5/h4-7H,1-3H3;5-6H,4H2,1-3H3;4,6H,5H2,1-3H3;5-6H,4H2,1-3H3;4-5H,6H2,1-3H3;4-5H,1-3H3,(H,8,9);4-6H,1-3H3;4*4-5H,1-3H3;4*4H,1-3H3,(H,7,8,9).

What are the key properties of 2-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;3-tert-butylpyridine;4-tert-butyl-2H-pyrrole;4-tert-butyl-3H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;1-tert-butyl-1,2,4-triazole;bis(4-tert-butyl-2H-triazole);bis(5-tert-butyl-1H-1,2,4-triazole)?

2-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;3-tert-butylpyridine;4-tert-butyl-2H-pyrrole;4-tert-butyl-3H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;1-tert-butyl-1,2,4-triazole;bis(4-tert-butyl-2H-triazole);bis(5-tert-butyl-1H-1,2,4-triazole) has a molecular weight of 1877.77 g/mol, XLogP of 25.95, 0 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;3-tert-butylpyridine;4-tert-butyl-2H-pyrrole;4-tert-butyl-3H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;1-tert-butyl-1,2,4-triazole;bis(4-tert-butyl-2H-triazole);bis(5-tert-butyl-1H-1,2,4-triazole) is sourced from PubChem (CID 157205327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).