5-tert-butyl-1,2-dimethylimidazole;5-tert-butyl-2-methyl-1H-imidazole;4-tert-butyl-2-methyl-1,3-oxazole;4-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-5-methyl-1H-pyrazole;3-tert-butyl-5-methyl-2H-pyrrole;4-tert-butyl-5-methyl-2H-pyrrole;5-tert-butyl-2-methyl-3H-pyrrole

C68H115N11O2 — CID 159146754

IUPAC5-tert-butyl-1,2-dimethylimidazole;5-tert-butyl-2-methyl-1H-imidazole;4-tert-butyl-2-methyl-1,3-oxazole;4-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-5-methyl-1H-pyrazole;3-tert-butyl-5-methyl-2H-pyrrole;4-tert-butyl-5-methyl-2H-pyrrole;5-tert-butyl-2-methyl-3H-pyrrole
SMILESCC1=NC(C(C)(C)C)=CC1.CC1=NCC(C(C)(C)C)=C1.CC1=NCC=C1C(C)(C)C.Cc1cc(C(C)(C)C)n[nH]1.Cc1nc(C(C)(C)C)co1.Cc1ncc(C(C)(C)C)[nH]1.Cc1ncc(C(C)(C)C)n1C.Cc1nocc1C(C)(C)C
InChIInChI=1S/C9H16N2.3C9H15N.2C8H14N2.2C8H13NO/c1-7-10-6-8(11(7)5)9(2,3)4;1-7-5-8(6-10-7)9(2,3)4;1-7-8(5-6-10-7)9(2,3)4;1-7-5-6-8(10-7)9(2,3)4;1-6-9-5-7(10-6)8(2,3)4;1-6-5-7(10-9-6)8(2,3)4;1-6-9-7(5-10-6)8(2,3)4;1-6-7(5-10-9-6)8(2,3)4/h6H,1-5H3;2*5H,6H2,1-4H3;6H,5H2,1-4H3;2*5H,1-4H3,(H,9,10);2*5H,1-4H3
InChIKeyKITUUDQTDWTJSE-UHFFFAOYSA-N
MW1118.74 g/mol
LogP18.27
Rot. Bonds

About 5-tert-butyl-1,2-dimethylimidazole;5-tert-butyl-2-methyl-1H-imidazole;4-tert-butyl-2-methyl-1,3-oxazole;4-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-5-methyl-1H-pyrazole;3-tert-butyl-5-methyl-2H-pyrrole;4-tert-butyl-5-methyl-2H-pyrrole;5-tert-butyl-2-methyl-3H-pyrrole

5-tert-butyl-1,2-dimethylimidazole;5-tert-butyl-2-methyl-1H-imidazole;4-tert-butyl-2-methyl-1,3-oxazole;4-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-5-methyl-1H-pyrazole;3-tert-butyl-5-methyl-2H-pyrrole;4-tert-butyl-5-methyl-2H-pyrrole;5-tert-butyl-2-methyl-3H-pyrrole (PubChem CID 159146754) has the molecular formula C68H115N11O2 and a molecular weight of 1118.74 g/mol. Its IUPAC name is 5-tert-butyl-1,2-dimethylimidazole;5-tert-butyl-2-methyl-1H-imidazole;4-tert-butyl-2-methyl-1,3-oxazole;4-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-5-methyl-1H-pyrazole;3-tert-butyl-5-methyl-2H-pyrrole;4-tert-butyl-5-methyl-2H-pyrrole;5-tert-butyl-2-methyl-3H-pyrrole.

Molecular Properties

Compound Name5-tert-butyl-1,2-dimethylimidazole;5-tert-butyl-2-methyl-1H-imidazole;4-tert-butyl-2-methyl-1,3-oxazole;4-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-5-methyl-1H-pyrazole;3-tert-butyl-5-methyl-2H-pyrrole;4-tert-butyl-5-methyl-2H-pyrrole;5-tert-butyl-2-methyl-3H-pyrrole
PubChem CID159146754
Molecular FormulaC68H115N11O2
Molecular Weight1118.74 g/mol
Exact Mass1117.92
IUPAC Name5-tert-butyl-1,2-dimethylimidazole;5-tert-butyl-2-methyl-1H-imidazole;4-tert-butyl-2-methyl-1,3-oxazole;4-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-5-methyl-1H-pyrazole;3-tert-butyl-5-methyl-2H-pyrrole;4-tert-butyl-5-methyl-2H-pyrrole;5-tert-butyl-2-methyl-3H-pyrrole
SMILESCC1=NC(C(C)(C)C)=CC1.CC1=NCC(C(C)(C)C)=C1.CC1=NCC=C1C(C)(C)C.Cc1cc(C(C)(C)C)n[nH]1.Cc1nc(C(C)(C)C)co1.Cc1ncc(C(C)(C)C)[nH]1.Cc1ncc(C(C)(C)C)n1C.Cc1nocc1C(C)(C)C
InChIInChI=1S/C9H16N2.3C9H15N.2C8H14N2.2C8H13NO/c1-7-10-6-8(11(7)5)9(2,3)4;1-7-5-8(6-10-7)9(2,3)4;1-7-8(5-6-10-7)9(2,3)4;1-7-5-6-8(10-7)9(2,3)4;1-6-9-5-7(10-6)8(2,3)4;1-6-5-7(10-9-6)8(2,3)4;1-6-9-7(5-10-6)8(2,3)4;1-6-7(5-10-9-6)8(2,3)4/h6H,1-5H3;2*5H,6H2,1-4H3;6H,5H2,1-4H3;2*5H,1-4H3,(H,9,10);2*5H,1-4H3
InChIKeyKITUUDQTDWTJSE-UHFFFAOYSA-N
XLogP18.27
TPSA164.32 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds
Heavy Atoms81
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001118.74
LogP ≤ 518.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 5-tert-butyl-1,2-dimethylimidazole;5-tert-butyl-2-methyl-1H-imidazole;4-tert-butyl-2-methyl-1,3-oxazole;4-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-5-methyl-1H-pyrazole;3-tert-butyl-5-methyl-2H-pyrrole;4-tert-butyl-5-methyl-2H-pyrrole;5-tert-butyl-2-methyl-3H-pyrrole with MolForge

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Related Compounds

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CID 157068312
5-tert-butyl-2-ethenyl-1H-imidazole;4-tert-butyl-3-ethenyl-1-methylpyrazole;5-tert-butyl-3-ethenyl-1-methylpyrazole;4-tert-butyl-2-ethenyl-1,3-oxazole;4-tert-butyl-3-ethenyl-1,2-oxazole;4-tert-butyl-5-ethenyl-1H-pyrazole;5-tert-butyl-3-ethenyl-1H-pyrazole;5-tert-butyl-2H-1,3-thiazol-2-ide;5-tert-butyl-3H-1,2-thiazol-3-ide;rhenium
CID 157242718
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
2-tert-butyl-2,3-dihydropyran-6-one;5-tert-butyl-2-ethynyl-1H-imidazole;4-tert-butyl-2-ethynyl-1-methylimidazole;4-tert-butyl-3-ethynyl-1-methylpyrazole;5-tert-butyl-3-ethynyl-1-methylpyrazole;4-tert-butyl-2-ethynyl-1,3-oxazole;4-tert-butyl-3-ethynyl-1,2-oxazole;5-tert-butyl-2-ethynyl-1,3-oxazole;5-tert-butyl-3-ethynyl-1,2-oxazole;4-tert-butyl-5-ethynyl-1H-pyrazole;5-tert-butyl-3-ethynyl-1,2-thiazole
CID 157421801
5-tert-butyl-2-ethenyl-1H-imidazole;4-tert-butyl-3-ethenyl-1-methylpyrazole;5-tert-butyl-3-ethenyl-1-methylpyrazole;4-tert-butyl-2-ethenyl-1,3-oxazole;4-tert-butyl-3-ethenyl-1,2-oxazole;4-tert-butyl-5-ethenyl-1H-pyrazole;5-tert-butyl-3-ethenyl-1H-pyrazole;4-tert-butyl-2H-1,3-thiazol-2-ide;4-tert-butyl-3H-1,2-thiazol-3-ide;5-tert-butyl-2H-1,3-thiazol-2-ide;5-tert-butyl-3H-1,2-thiazol-3-ide;rhenium
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5-tert-butyl-2-ethynyl-1H-imidazole;4-tert-butyl-2-ethynyl-1,3-oxazole;4-tert-butyl-3-ethynyl-1,2-oxazole;5-tert-butyl-2-ethynyl-1,3-oxazole;5-tert-butyl-3-ethynyl-1,2-oxazole;3-tert-butyl-5-ethynyl-2H-pyrrole;bis(4-tert-butyl-5-ethynyl-2H-pyrrole);5-tert-butyl-2-ethynyl-3H-pyrrole
CID 157547643
1-Tert-butyl-2,3-dihydropyridin-6-one;4-tert-butyl-2-ethynyl-1-methylimidazole;5-tert-butyl-2-ethynyl-1-methylimidazole;4-tert-butyl-3-ethynyl-1-methylpyrazole;5-tert-butyl-3-ethynyl-1-methylpyrazole;4-tert-butyl-2-ethynyl-1,3-oxazole;4-tert-butyl-3-ethynyl-1,2-oxazole;5-tert-butyl-2-ethynyl-1,3-oxazole;5-tert-butyl-3-ethynyl-1,2-oxazole;4-tert-butyl-3-ethynyl-1,2-thiazole
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1-tert-butyl-2,5-dihydropyridin-6-one;5-tert-butyl-2-ethynyl-1H-imidazole;4-tert-butyl-2-ethynyl-1,3-oxazole;4-tert-butyl-3-ethynyl-1,2-oxazole;5-tert-butyl-3-ethynyl-1,2-oxazole;3-tert-butyl-5-ethynyl-1H-pyrazole;3-tert-butyl-5-ethynyl-2H-pyrrole;bis(4-tert-butyl-5-ethynyl-2H-pyrrole);5-tert-butyl-2-ethynyl-3H-pyrrole;2-propan-2-yl-2,3-dihydropyran-6-one
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2-tert-butyl-2,3-dihydropyran-6-one;1-tert-butyl-2,3-dihydropyridin-6-one;5-tert-butyl-2-ethynyl-1H-imidazole;4-tert-butyl-2-ethynyl-1,3-oxazole;4-tert-butyl-3-ethynyl-1,2-oxazole;5-tert-butyl-3-ethynyl-1,2-oxazole;3-tert-butyl-5-ethynyl-1H-pyrazole;3-tert-butyl-5-ethynyl-2H-pyrrole;bis(4-tert-butyl-5-ethynyl-2H-pyrrole);5-tert-butyl-2-ethynyl-3H-pyrrole
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CID 157777961

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1,2-dimethylimidazole;5-tert-butyl-2-methyl-1H-imidazole;4-tert-butyl-2-methyl-1,3-oxazole;4-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-5-methyl-1H-pyrazole;3-tert-butyl-5-methyl-2H-pyrrole;4-tert-butyl-5-methyl-2H-pyrrole;5-tert-butyl-2-methyl-3H-pyrrole?
The IUPAC name of 5-tert-butyl-1,2-dimethylimidazole;5-tert-butyl-2-methyl-1H-imidazole;4-tert-butyl-2-methyl-1,3-oxazole;4-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-5-methyl-1H-pyrazole;3-tert-butyl-5-methyl-2H-pyrrole;4-tert-butyl-5-methyl-2H-pyrrole;5-tert-butyl-2-methyl-3H-pyrrole (CID 159146754) is 5-tert-butyl-1,2-dimethylimidazole;5-tert-butyl-2-methyl-1H-imidazole;4-tert-butyl-2-methyl-1,3-oxazole;4-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-5-methyl-1H-pyrazole;3-tert-butyl-5-methyl-2H-pyrrole;4-tert-butyl-5-methyl-2H-pyrrole;5-tert-butyl-2-methyl-3H-pyrrole.
What is the SMILES notation for 5-tert-butyl-1,2-dimethylimidazole;5-tert-butyl-2-methyl-1H-imidazole;4-tert-butyl-2-methyl-1,3-oxazole;4-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-5-methyl-1H-pyrazole;3-tert-butyl-5-methyl-2H-pyrrole;4-tert-butyl-5-methyl-2H-pyrrole;5-tert-butyl-2-methyl-3H-pyrrole?
The canonical SMILES for 5-tert-butyl-1,2-dimethylimidazole;5-tert-butyl-2-methyl-1H-imidazole;4-tert-butyl-2-methyl-1,3-oxazole;4-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-5-methyl-1H-pyrazole;3-tert-butyl-5-methyl-2H-pyrrole;4-tert-butyl-5-methyl-2H-pyrrole;5-tert-butyl-2-methyl-3H-pyrrole is CC1=NC(C(C)(C)C)=CC1.CC1=NCC(C(C)(C)C)=C1.CC1=NCC=C1C(C)(C)C.Cc1cc(C(C)(C)C)n[nH]1.Cc1nc(C(C)(C)C)co1.Cc1ncc(C(C)(C)C)[nH]1.Cc1ncc(C(C)(C)C)n1C.Cc1nocc1C(C)(C)C.
What is the InChIKey of 5-tert-butyl-1,2-dimethylimidazole;5-tert-butyl-2-methyl-1H-imidazole;4-tert-butyl-2-methyl-1,3-oxazole;4-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-5-methyl-1H-pyrazole;3-tert-butyl-5-methyl-2H-pyrrole;4-tert-butyl-5-methyl-2H-pyrrole;5-tert-butyl-2-methyl-3H-pyrrole?
The InChIKey is KITUUDQTDWTJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2.3C9H15N.2C8H14N2.2C8H13NO/c1-7-10-6-8(11(7)5)9(2,3)4;1-7-5-8(6-10-7)9(2,3)4;1-7-8(5-6-10-7)9(2,3)4;1-7-5-6-8(10-7)9(2,3)4;1-6-9-5-7(10-6)8(2,3)4;1-6-5-7(10-9-6)8(2,3)4;1-6-9-7(5-10-6)8(2,3)4;1-6-7(5-10-9-6)8(2,3)4/h6H,1-5H3;2*5H,6H2,1-4H3;6H,5H2,1-4H3;2*5H,1-4H3,(H,9,10);2*5H,1-4H3.
What are the key properties of 5-tert-butyl-1,2-dimethylimidazole;5-tert-butyl-2-methyl-1H-imidazole;4-tert-butyl-2-methyl-1,3-oxazole;4-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-5-methyl-1H-pyrazole;3-tert-butyl-5-methyl-2H-pyrrole;4-tert-butyl-5-methyl-2H-pyrrole;5-tert-butyl-2-methyl-3H-pyrrole?
5-tert-butyl-1,2-dimethylimidazole;5-tert-butyl-2-methyl-1H-imidazole;4-tert-butyl-2-methyl-1,3-oxazole;4-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-5-methyl-1H-pyrazole;3-tert-butyl-5-methyl-2H-pyrrole;4-tert-butyl-5-methyl-2H-pyrrole;5-tert-butyl-2-methyl-3H-pyrrole has a molecular weight of 1118.74 g/mol, XLogP of 18.27, 0 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1,2-dimethylimidazole;5-tert-butyl-2-methyl-1H-imidazole;4-tert-butyl-2-methyl-1,3-oxazole;4-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-5-methyl-1H-pyrazole;3-tert-butyl-5-methyl-2H-pyrrole;4-tert-butyl-5-methyl-2H-pyrrole;5-tert-butyl-2-methyl-3H-pyrrole is sourced from PubChem (CID 159146754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).