5-tert-butyl-2-ethenyl-1-methylimidazole;4-tert-butyl-2-ethenyl-1,3-oxazole;4-tert-butyl-3-ethenyl-1,2-oxazole;5-tert-butyl-2-ethenyl-1,3-oxazole;5-tert-butyl-3-ethenyl-1H-pyrazole;3-tert-butyl-5-ethenyl-2H-pyrrole;4-tert-butyl-5-ethenyl-2H-pyrrole;bis(5-tert-butyl-2-ethenyl-3H-pyrrole)

C86H129N11O3 — CID 157310136

About 5-tert-butyl-2-ethenyl-1-methylimidazole;4-tert-butyl-2-ethenyl-1,3-oxazole;4-tert-butyl-3-ethenyl-1,2-oxazole;5-tert-butyl-2-ethenyl-1,3-oxazole;5-tert-butyl-3-ethenyl-1H-pyrazole;3-tert-butyl-5-ethenyl-2H-pyrrole;4-tert-butyl-5-ethenyl-2H-pyrrole;bis(5-tert-butyl-2-ethenyl-3H-pyrrole)

5-tert-butyl-2-ethenyl-1-methylimidazole;4-tert-butyl-2-ethenyl-1,3-oxazole;4-tert-butyl-3-ethenyl-1,2-oxazole;5-tert-butyl-2-ethenyl-1,3-oxazole;5-tert-butyl-3-ethenyl-1H-pyrazole;3-tert-butyl-5-ethenyl-2H-pyrrole;4-tert-butyl-5-ethenyl-2H-pyrrole;bis(5-tert-butyl-2-ethenyl-3H-pyrrole) (PubChem CID 157310136) has the molecular formula C86H129N11O3 and a molecular weight of 1365.05 g/mol. Its IUPAC name is 5-tert-butyl-2-ethenyl-1-methylimidazole;4-tert-butyl-2-ethenyl-1,3-oxazole;4-tert-butyl-3-ethenyl-1,2-oxazole;5-tert-butyl-2-ethenyl-1,3-oxazole;5-tert-butyl-3-ethenyl-1H-pyrazole;3-tert-butyl-5-ethenyl-2H-pyrrole;4-tert-butyl-5-ethenyl-2H-pyrrole;bis(5-tert-butyl-2-ethenyl-3H-pyrrole).

Molecular Properties

• Compound Name: 5-tert-butyl-2-ethenyl-1-methylimidazole;4-tert-butyl-2-ethenyl-1,3-oxazole;4-tert-butyl-3-ethenyl-1,2-oxazole;5-tert-butyl-2-ethenyl-1,3-oxazole;5-tert-butyl-3-ethenyl-1H-pyrazole;3-tert-butyl-5-ethenyl-2H-pyrrole;4-tert-butyl-5-ethenyl-2H-pyrrole;bis(5-tert-butyl-2-ethenyl-3H-pyrrole)
• PubChem CID: 157310136
• Molecular Formula: C86H129N11O3
• Molecular Weight: 1365.05 g/mol
• Exact Mass: 1364.03
• IUPAC Name: 5-tert-butyl-2-ethenyl-1-methylimidazole;4-tert-butyl-2-ethenyl-1,3-oxazole;4-tert-butyl-3-ethenyl-1,2-oxazole;5-tert-butyl-2-ethenyl-1,3-oxazole;5-tert-butyl-3-ethenyl-1H-pyrazole;3-tert-butyl-5-ethenyl-2H-pyrrole;4-tert-butyl-5-ethenyl-2H-pyrrole;bis(5-tert-butyl-2-ethenyl-3H-pyrrole)
• SMILES: C=CC1=NC(C(C)(C)C)=CC1.C=CC1=NC(C(C)(C)C)=CC1.C=CC1=NCC(C(C)(C)C)=C1.C=CC1=NCC=C1C(C)(C)C.C=Cc1cc(C(C)(C)C)[nH]n1.C=Cc1nc(C(C)(C)C)co1.C=Cc1ncc(C(C)(C)C)n1C.C=Cc1ncc(C(C)(C)C)o1.C=Cc1nocc1C(C)(C)C
• InChI: InChI=1S/C10H16N2.4C10H15N.C9H14N2.3C9H13NO/c1-6-9-11-7-8(12(9)5)10(2,3)4;1-5-9-6-8(7-11-9)10(2,3)4;1-5-9-8(6-7-11-9)10(2,3)4;2*1-5-8-6-7-9(11-8)10(2,3)4;1-5-7-6-8(11-10-7)9(2,3)4;1-5-8-10-7(6-11-8)9(2,3)4;1-5-8-10-6-7(11-8)9(2,3)4;1-5-8-7(6-11-10-8)9(2,3)4/h6-7H,1H2,2-5H3;2*5-6H,1,7H2,2-4H3;2*5,7H,1,6H2,2-4H3;5-6H,1H2,2-4H3,(H,10,11);3*5-6H,1H2,2-4H3
• InChIKey: BCYDAGXRNOLIFE-UHFFFAOYSA-N
• XLogP: 23.65
• TPSA: 174.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 9
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1365.05
LogP ≤ 5	23.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-ethenyl-1-methylimidazole;4-tert-butyl-2-ethenyl-1,3-oxazole;4-tert-butyl-3-ethenyl-1,2-oxazole;5-tert-butyl-2-ethenyl-1,3-oxazole;5-tert-butyl-3-ethenyl-1H-pyrazole;3-tert-butyl-5-ethenyl-2H-pyrrole;4-tert-butyl-5-ethenyl-2H-pyrrole;bis(5-tert-butyl-2-ethenyl-3H-pyrrole)?

The IUPAC name of 5-tert-butyl-2-ethenyl-1-methylimidazole;4-tert-butyl-2-ethenyl-1,3-oxazole;4-tert-butyl-3-ethenyl-1,2-oxazole;5-tert-butyl-2-ethenyl-1,3-oxazole;5-tert-butyl-3-ethenyl-1H-pyrazole;3-tert-butyl-5-ethenyl-2H-pyrrole;4-tert-butyl-5-ethenyl-2H-pyrrole;bis(5-tert-butyl-2-ethenyl-3H-pyrrole) (CID 157310136) is 5-tert-butyl-2-ethenyl-1-methylimidazole;4-tert-butyl-2-ethenyl-1,3-oxazole;4-tert-butyl-3-ethenyl-1,2-oxazole;5-tert-butyl-2-ethenyl-1,3-oxazole;5-tert-butyl-3-ethenyl-1H-pyrazole;3-tert-butyl-5-ethenyl-2H-pyrrole;4-tert-butyl-5-ethenyl-2H-pyrrole;bis(5-tert-butyl-2-ethenyl-3H-pyrrole).

What is the SMILES notation for 5-tert-butyl-2-ethenyl-1-methylimidazole;4-tert-butyl-2-ethenyl-1,3-oxazole;4-tert-butyl-3-ethenyl-1,2-oxazole;5-tert-butyl-2-ethenyl-1,3-oxazole;5-tert-butyl-3-ethenyl-1H-pyrazole;3-tert-butyl-5-ethenyl-2H-pyrrole;4-tert-butyl-5-ethenyl-2H-pyrrole;bis(5-tert-butyl-2-ethenyl-3H-pyrrole)?

The canonical SMILES for 5-tert-butyl-2-ethenyl-1-methylimidazole;4-tert-butyl-2-ethenyl-1,3-oxazole;4-tert-butyl-3-ethenyl-1,2-oxazole;5-tert-butyl-2-ethenyl-1,3-oxazole;5-tert-butyl-3-ethenyl-1H-pyrazole;3-tert-butyl-5-ethenyl-2H-pyrrole;4-tert-butyl-5-ethenyl-2H-pyrrole;bis(5-tert-butyl-2-ethenyl-3H-pyrrole) is C=CC1=NC(C(C)(C)C)=CC1.C=CC1=NC(C(C)(C)C)=CC1.C=CC1=NCC(C(C)(C)C)=C1.C=CC1=NCC=C1C(C)(C)C.C=Cc1cc(C(C)(C)C)[nH]n1.C=Cc1nc(C(C)(C)C)co1.C=Cc1ncc(C(C)(C)C)n1C.C=Cc1ncc(C(C)(C)C)o1.C=Cc1nocc1C(C)(C)C.

What is the InChIKey of 5-tert-butyl-2-ethenyl-1-methylimidazole;4-tert-butyl-2-ethenyl-1,3-oxazole;4-tert-butyl-3-ethenyl-1,2-oxazole;5-tert-butyl-2-ethenyl-1,3-oxazole;5-tert-butyl-3-ethenyl-1H-pyrazole;3-tert-butyl-5-ethenyl-2H-pyrrole;4-tert-butyl-5-ethenyl-2H-pyrrole;bis(5-tert-butyl-2-ethenyl-3H-pyrrole)?

The InChIKey is BCYDAGXRNOLIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2.4C10H15N.C9H14N2.3C9H13NO/c1-6-9-11-7-8(12(9)5)10(2,3)4;1-5-9-6-8(7-11-9)10(2,3)4;1-5-9-8(6-7-11-9)10(2,3)4;2*1-5-8-6-7-9(11-8)10(2,3)4;1-5-7-6-8(11-10-7)9(2,3)4;1-5-8-10-7(6-11-8)9(2,3)4;1-5-8-10-6-7(11-8)9(2,3)4;1-5-8-7(6-11-10-8)9(2,3)4/h6-7H,1H2,2-5H3;2*5-6H,1,7H2,2-4H3;2*5,7H,1,6H2,2-4H3;5-6H,1H2,2-4H3,(H,10,11);3*5-6H,1H2,2-4H3.

What are the key properties of 5-tert-butyl-2-ethenyl-1-methylimidazole;4-tert-butyl-2-ethenyl-1,3-oxazole;4-tert-butyl-3-ethenyl-1,2-oxazole;5-tert-butyl-2-ethenyl-1,3-oxazole;5-tert-butyl-3-ethenyl-1H-pyrazole;3-tert-butyl-5-ethenyl-2H-pyrrole;4-tert-butyl-5-ethenyl-2H-pyrrole;bis(5-tert-butyl-2-ethenyl-3H-pyrrole)?

5-tert-butyl-2-ethenyl-1-methylimidazole;4-tert-butyl-2-ethenyl-1,3-oxazole;4-tert-butyl-3-ethenyl-1,2-oxazole;5-tert-butyl-2-ethenyl-1,3-oxazole;5-tert-butyl-3-ethenyl-1H-pyrazole;3-tert-butyl-5-ethenyl-2H-pyrrole;4-tert-butyl-5-ethenyl-2H-pyrrole;bis(5-tert-butyl-2-ethenyl-3H-pyrrole) has a molecular weight of 1365.05 g/mol, XLogP of 23.65, 9 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-2-ethenyl-1-methylimidazole;4-tert-butyl-2-ethenyl-1,3-oxazole;4-tert-butyl-3-ethenyl-1,2-oxazole;5-tert-butyl-2-ethenyl-1,3-oxazole;5-tert-butyl-3-ethenyl-1H-pyrazole;3-tert-butyl-5-ethenyl-2H-pyrrole;4-tert-butyl-5-ethenyl-2H-pyrrole;bis(5-tert-butyl-2-ethenyl-3H-pyrrole) is sourced from PubChem (CID 157310136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).