1-tert-butyl-2-methylimidazole;1-tert-butyl-5-methylimidazole;3-tert-butyl-4-methyl-1,2-oxazole;4-tert-butyl-5-methyl-1,3-oxazole;1-tert-butyl-5-methylpyrazole;5-tert-butyl-4-methyl-1H-pyrazole;4-tert-butyl-5-methyl-3H-pyrrole;3-tert-butyl-4-methyl-1,2-thiazole;4-tert-butyl-5-methyl-1,3-thiazole;1-tert-butyl-5-methyltriazole;1-tert-butyl-5-methyl-1,2,4-triazole;4-tert-butyl-5-methyl-2H-triazole

C94H162N22O2S2 — CID 158788070

IUPAC1-tert-butyl-2-methylimidazole;1-tert-butyl-5-methylimidazole;3-tert-butyl-4-methyl-1,2-oxazole;4-tert-butyl-5-methyl-1,3-oxazole;1-tert-butyl-5-methylpyrazole;5-tert-butyl-4-methyl-1H-pyrazole;4-tert-butyl-5-methyl-3H-pyrrole;3-tert-butyl-4-methyl-1,2-thiazole;4-tert-butyl-5-methyl-1,3-thiazole;1-tert-butyl-5-methyltriazole;1-tert-butyl-5-methyl-1,2,4-triazole;4-tert-butyl-5-methyl-2H-triazole
SMILESCC1=C(C(C)(C)C)CC=N1.Cc1ccnn1C(C)(C)C.Cc1cn[nH]c1C(C)(C)C.Cc1cncn1C(C)(C)C.Cc1cnnn1C(C)(C)C.Cc1conc1C(C)(C)C.Cc1csnc1C(C)(C)C.Cc1n[nH]nc1C(C)(C)C.Cc1nccn1C(C)(C)C.Cc1ncnn1C(C)(C)C.Cc1ocnc1C(C)(C)C.Cc1scnc1C(C)(C)C
InChIInChI=1S/C9H15N.4C8H14N2.2C8H13NO.2C8H13NS.3C7H13N3/c1-7-8(5-6-10-7)9(2,3)4;1-7-5-9-6-10(7)8(2,3)4;1-7-9-5-6-10(7)8(2,3)4;1-7-5-6-9-10(7)8(2,3)4;1-6-5-9-10-7(6)8(2,3)4;1-6-7(8(2,3)4)9-5-10-6;1-6-5-10-9-7(6)8(2,3)4;1-6-7(8(2,3)4)9-5-10-6;1-6-5-10-9-7(6)8(2,3)4;1-6-8-5-9-10(6)7(2,3)4;1-6-5-8-9-10(6)7(2,3)4;1-5-6(7(2,3)4)9-10-8-5/h6H,5H2,1-4H3;3*5-6H,1-4H3;5H,1-4H3,(H,9,10);6*5H,1-4H3;1-4H3,(H,8,9,10)
InChIKeyIRXWIUVHPYLPGN-UHFFFAOYSA-N
MW1696.62 g/mol
LogP24.79
Rot. Bonds

About 1-tert-butyl-2-methylimidazole;1-tert-butyl-5-methylimidazole;3-tert-butyl-4-methyl-1,2-oxazole;4-tert-butyl-5-methyl-1,3-oxazole;1-tert-butyl-5-methylpyrazole;5-tert-butyl-4-methyl-1H-pyrazole;4-tert-butyl-5-methyl-3H-pyrrole;3-tert-butyl-4-methyl-1,2-thiazole;4-tert-butyl-5-methyl-1,3-thiazole;1-tert-butyl-5-methyltriazole;1-tert-butyl-5-methyl-1,2,4-triazole;4-tert-butyl-5-methyl-2H-triazole

1-tert-butyl-2-methylimidazole;1-tert-butyl-5-methylimidazole;3-tert-butyl-4-methyl-1,2-oxazole;4-tert-butyl-5-methyl-1,3-oxazole;1-tert-butyl-5-methylpyrazole;5-tert-butyl-4-methyl-1H-pyrazole;4-tert-butyl-5-methyl-3H-pyrrole;3-tert-butyl-4-methyl-1,2-thiazole;4-tert-butyl-5-methyl-1,3-thiazole;1-tert-butyl-5-methyltriazole;1-tert-butyl-5-methyl-1,2,4-triazole;4-tert-butyl-5-methyl-2H-triazole (PubChem CID 158788070) has the molecular formula C94H162N22O2S2 and a molecular weight of 1696.62 g/mol. Its IUPAC name is 1-tert-butyl-2-methylimidazole;1-tert-butyl-5-methylimidazole;3-tert-butyl-4-methyl-1,2-oxazole;4-tert-butyl-5-methyl-1,3-oxazole;1-tert-butyl-5-methylpyrazole;5-tert-butyl-4-methyl-1H-pyrazole;4-tert-butyl-5-methyl-3H-pyrrole;3-tert-butyl-4-methyl-1,2-thiazole;4-tert-butyl-5-methyl-1,3-thiazole;1-tert-butyl-5-methyltriazole;1-tert-butyl-5-methyl-1,2,4-triazole;4-tert-butyl-5-methyl-2H-triazole.

Molecular Properties

Compound Name1-tert-butyl-2-methylimidazole;1-tert-butyl-5-methylimidazole;3-tert-butyl-4-methyl-1,2-oxazole;4-tert-butyl-5-methyl-1,3-oxazole;1-tert-butyl-5-methylpyrazole;5-tert-butyl-4-methyl-1H-pyrazole;4-tert-butyl-5-methyl-3H-pyrrole;3-tert-butyl-4-methyl-1,2-thiazole;4-tert-butyl-5-methyl-1,3-thiazole;1-tert-butyl-5-methyltriazole;1-tert-butyl-5-methyl-1,2,4-triazole;4-tert-butyl-5-methyl-2H-triazole
PubChem CID158788070
Molecular FormulaC94H162N22O2S2
Molecular Weight1696.62 g/mol
Exact Mass1695.27
IUPAC Name1-tert-butyl-2-methylimidazole;1-tert-butyl-5-methylimidazole;3-tert-butyl-4-methyl-1,2-oxazole;4-tert-butyl-5-methyl-1,3-oxazole;1-tert-butyl-5-methylpyrazole;5-tert-butyl-4-methyl-1H-pyrazole;4-tert-butyl-5-methyl-3H-pyrrole;3-tert-butyl-4-methyl-1,2-thiazole;4-tert-butyl-5-methyl-1,3-thiazole;1-tert-butyl-5-methyltriazole;1-tert-butyl-5-methyl-1,2,4-triazole;4-tert-butyl-5-methyl-2H-triazole
SMILESCC1=C(C(C)(C)C)CC=N1.Cc1ccnn1C(C)(C)C.Cc1cn[nH]c1C(C)(C)C.Cc1cncn1C(C)(C)C.Cc1cnnn1C(C)(C)C.Cc1conc1C(C)(C)C.Cc1csnc1C(C)(C)C.Cc1n[nH]nc1C(C)(C)C.Cc1nccn1C(C)(C)C.Cc1ncnn1C(C)(C)C.Cc1ocnc1C(C)(C)C.Cc1scnc1C(C)(C)C
InChIInChI=1S/C9H15N.4C8H14N2.2C8H13NO.2C8H13NS.3C7H13N3/c1-7-8(5-6-10-7)9(2,3)4;1-7-5-9-6-10(7)8(2,3)4;1-7-9-5-6-10(7)8(2,3)4;1-7-5-6-9-10(7)8(2,3)4;1-6-5-9-10-7(6)8(2,3)4;1-6-7(8(2,3)4)9-5-10-6;1-6-5-10-9-7(6)8(2,3)4;1-6-7(8(2,3)4)9-5-10-6;1-6-5-10-9-7(6)8(2,3)4;1-6-8-5-9-10(6)7(2,3)4;1-6-5-8-9-10(6)7(2,3)4;1-5-6(7(2,3)4)9-10-8-5/h6H,5H2,1-4H3;3*5-6H,1-4H3;5H,1-4H3,(H,9,10);6*5H,1-4H3;1-4H3,(H,8,9,10)
InChIKeyIRXWIUVHPYLPGN-UHFFFAOYSA-N
XLogP24.79
TPSA275.33 Ų
H-Bond Donors2
H-Bond Acceptors24
Rotatable Bonds
Heavy Atoms120
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001696.62
LogP ≤ 524.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1024

Analyze 1-tert-butyl-2-methylimidazole;1-tert-butyl-5-methylimidazole;3-tert-butyl-4-methyl-1,2-oxazole;4-tert-butyl-5-methyl-1,3-oxazole;1-tert-butyl-5-methylpyrazole;5-tert-butyl-4-methyl-1H-pyrazole;4-tert-butyl-5-methyl-3H-pyrrole;3-tert-butyl-4-methyl-1,2-thiazole;4-tert-butyl-5-methyl-1,3-thiazole;1-tert-butyl-5-methyltriazole;1-tert-butyl-5-methyl-1,2,4-triazole;4-tert-butyl-5-methyl-2H-triazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-methylimidazole;1-tert-butyl-5-methylimidazole;3-tert-butyl-4-methyl-1,2-oxazole;4-tert-butyl-5-methyl-1,3-oxazole;1-tert-butyl-5-methylpyrazole;5-tert-butyl-4-methyl-1H-pyrazole;4-tert-butyl-5-methyl-3H-pyrrole;3-tert-butyl-4-methyl-1,2-thiazole;4-tert-butyl-5-methyl-1,3-thiazole;1-tert-butyl-5-methyltriazole;1-tert-butyl-5-methyl-1,2,4-triazole;4-tert-butyl-5-methyl-2H-triazole?
The IUPAC name of 1-tert-butyl-2-methylimidazole;1-tert-butyl-5-methylimidazole;3-tert-butyl-4-methyl-1,2-oxazole;4-tert-butyl-5-methyl-1,3-oxazole;1-tert-butyl-5-methylpyrazole;5-tert-butyl-4-methyl-1H-pyrazole;4-tert-butyl-5-methyl-3H-pyrrole;3-tert-butyl-4-methyl-1,2-thiazole;4-tert-butyl-5-methyl-1,3-thiazole;1-tert-butyl-5-methyltriazole;1-tert-butyl-5-methyl-1,2,4-triazole;4-tert-butyl-5-methyl-2H-triazole (CID 158788070) is 1-tert-butyl-2-methylimidazole;1-tert-butyl-5-methylimidazole;3-tert-butyl-4-methyl-1,2-oxazole;4-tert-butyl-5-methyl-1,3-oxazole;1-tert-butyl-5-methylpyrazole;5-tert-butyl-4-methyl-1H-pyrazole;4-tert-butyl-5-methyl-3H-pyrrole;3-tert-butyl-4-methyl-1,2-thiazole;4-tert-butyl-5-methyl-1,3-thiazole;1-tert-butyl-5-methyltriazole;1-tert-butyl-5-methyl-1,2,4-triazole;4-tert-butyl-5-methyl-2H-triazole.
What is the SMILES notation for 1-tert-butyl-2-methylimidazole;1-tert-butyl-5-methylimidazole;3-tert-butyl-4-methyl-1,2-oxazole;4-tert-butyl-5-methyl-1,3-oxazole;1-tert-butyl-5-methylpyrazole;5-tert-butyl-4-methyl-1H-pyrazole;4-tert-butyl-5-methyl-3H-pyrrole;3-tert-butyl-4-methyl-1,2-thiazole;4-tert-butyl-5-methyl-1,3-thiazole;1-tert-butyl-5-methyltriazole;1-tert-butyl-5-methyl-1,2,4-triazole;4-tert-butyl-5-methyl-2H-triazole?
The canonical SMILES for 1-tert-butyl-2-methylimidazole;1-tert-butyl-5-methylimidazole;3-tert-butyl-4-methyl-1,2-oxazole;4-tert-butyl-5-methyl-1,3-oxazole;1-tert-butyl-5-methylpyrazole;5-tert-butyl-4-methyl-1H-pyrazole;4-tert-butyl-5-methyl-3H-pyrrole;3-tert-butyl-4-methyl-1,2-thiazole;4-tert-butyl-5-methyl-1,3-thiazole;1-tert-butyl-5-methyltriazole;1-tert-butyl-5-methyl-1,2,4-triazole;4-tert-butyl-5-methyl-2H-triazole is CC1=C(C(C)(C)C)CC=N1.Cc1ccnn1C(C)(C)C.Cc1cn[nH]c1C(C)(C)C.Cc1cncn1C(C)(C)C.Cc1cnnn1C(C)(C)C.Cc1conc1C(C)(C)C.Cc1csnc1C(C)(C)C.Cc1n[nH]nc1C(C)(C)C.Cc1nccn1C(C)(C)C.Cc1ncnn1C(C)(C)C.Cc1ocnc1C(C)(C)C.Cc1scnc1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-2-methylimidazole;1-tert-butyl-5-methylimidazole;3-tert-butyl-4-methyl-1,2-oxazole;4-tert-butyl-5-methyl-1,3-oxazole;1-tert-butyl-5-methylpyrazole;5-tert-butyl-4-methyl-1H-pyrazole;4-tert-butyl-5-methyl-3H-pyrrole;3-tert-butyl-4-methyl-1,2-thiazole;4-tert-butyl-5-methyl-1,3-thiazole;1-tert-butyl-5-methyltriazole;1-tert-butyl-5-methyl-1,2,4-triazole;4-tert-butyl-5-methyl-2H-triazole?
The InChIKey is IRXWIUVHPYLPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N.4C8H14N2.2C8H13NO.2C8H13NS.3C7H13N3/c1-7-8(5-6-10-7)9(2,3)4;1-7-5-9-6-10(7)8(2,3)4;1-7-9-5-6-10(7)8(2,3)4;1-7-5-6-9-10(7)8(2,3)4;1-6-5-9-10-7(6)8(2,3)4;1-6-7(8(2,3)4)9-5-10-6;1-6-5-10-9-7(6)8(2,3)4;1-6-7(8(2,3)4)9-5-10-6;1-6-5-10-9-7(6)8(2,3)4;1-6-8-5-9-10(6)7(2,3)4;1-6-5-8-9-10(6)7(2,3)4;1-5-6(7(2,3)4)9-10-8-5/h6H,5H2,1-4H3;3*5-6H,1-4H3;5H,1-4H3,(H,9,10);6*5H,1-4H3;1-4H3,(H,8,9,10).
What are the key properties of 1-tert-butyl-2-methylimidazole;1-tert-butyl-5-methylimidazole;3-tert-butyl-4-methyl-1,2-oxazole;4-tert-butyl-5-methyl-1,3-oxazole;1-tert-butyl-5-methylpyrazole;5-tert-butyl-4-methyl-1H-pyrazole;4-tert-butyl-5-methyl-3H-pyrrole;3-tert-butyl-4-methyl-1,2-thiazole;4-tert-butyl-5-methyl-1,3-thiazole;1-tert-butyl-5-methyltriazole;1-tert-butyl-5-methyl-1,2,4-triazole;4-tert-butyl-5-methyl-2H-triazole?
1-tert-butyl-2-methylimidazole;1-tert-butyl-5-methylimidazole;3-tert-butyl-4-methyl-1,2-oxazole;4-tert-butyl-5-methyl-1,3-oxazole;1-tert-butyl-5-methylpyrazole;5-tert-butyl-4-methyl-1H-pyrazole;4-tert-butyl-5-methyl-3H-pyrrole;3-tert-butyl-4-methyl-1,2-thiazole;4-tert-butyl-5-methyl-1,3-thiazole;1-tert-butyl-5-methyltriazole;1-tert-butyl-5-methyl-1,2,4-triazole;4-tert-butyl-5-methyl-2H-triazole has a molecular weight of 1696.62 g/mol, XLogP of 24.79, 0 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-methylimidazole;1-tert-butyl-5-methylimidazole;3-tert-butyl-4-methyl-1,2-oxazole;4-tert-butyl-5-methyl-1,3-oxazole;1-tert-butyl-5-methylpyrazole;5-tert-butyl-4-methyl-1H-pyrazole;4-tert-butyl-5-methyl-3H-pyrrole;3-tert-butyl-4-methyl-1,2-thiazole;4-tert-butyl-5-methyl-1,3-thiazole;1-tert-butyl-5-methyltriazole;1-tert-butyl-5-methyl-1,2,4-triazole;4-tert-butyl-5-methyl-2H-triazole is sourced from PubChem (CID 158788070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).