5-tert-butyl-2-ethenyl-1H-imidazole;4-tert-butyl-2-ethenyl-1-methylimidazole;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;5-tert-butyl-2-ethenyl-1,3-oxazole;5-tert-butyl-3-ethenyl-1,2-oxazole;4-tert-butyl-5-ethenyl-1H-pyrazole;5-tert-butyl-3-ethenyl-1H-pyrazole;4-tert-butyl-3-ethenyl-1,2-thiazole

C102H155N17O4S — CID 158041025

IUPAC5-tert-butyl-2-ethenyl-1H-imidazole;4-tert-butyl-2-ethenyl-1-methylimidazole;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;5-tert-butyl-2-ethenyl-1,3-oxazole;5-tert-butyl-3-ethenyl-1,2-oxazole;4-tert-butyl-5-ethenyl-1H-pyrazole;5-tert-butyl-3-ethenyl-1H-pyrazole;4-tert-butyl-3-ethenyl-1,2-thiazole
SMILESC=Cc1[nH]ncc1C(C)(C)C.C=Cc1cc(C(C)(C)C)[nH]n1.C=Cc1cc(C(C)(C)C)n(C)n1.C=Cc1cc(C(C)(C)C)on1.C=Cc1nc(C(C)(C)C)cn1C.C=Cc1nc(C(C)(C)C)co1.C=Cc1ncc(C(C)(C)C)[nH]1.C=Cc1ncc(C(C)(C)C)o1.C=Cc1nn(C)cc1C(C)(C)C.C=Cc1nocc1C(C)(C)C.C=Cc1nscc1C(C)(C)C
InChIInChI=1S/3C10H16N2.3C9H14N2.4C9H13NO.C9H13NS/c1-6-9-11-8(7-12(9)5)10(2,3)4;1-6-9-8(10(2,3)4)7-12(5)11-9;1-6-8-7-9(10(2,3)4)12(5)11-8;1-5-8-10-6-7(11-8)9(2,3)4;1-5-8-7(6-10-11-8)9(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;1-5-7-6-8(11-10-7)9(2,3)4;1-5-8-7(6-11-10-8)9(2,3)4/h3*6-7H,1H2,2-5H3;3*5-6H,1H2,2-4H3,(H,10,11);5*5-6H,1H2,2-4H3
InChIKeyFIIVLTKNBKMPST-UHFFFAOYSA-N
MW1715.54 g/mol
LogP27.68
Rot. Bonds11

About 5-tert-butyl-2-ethenyl-1H-imidazole;4-tert-butyl-2-ethenyl-1-methylimidazole;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;5-tert-butyl-2-ethenyl-1,3-oxazole;5-tert-butyl-3-ethenyl-1,2-oxazole;4-tert-butyl-5-ethenyl-1H-pyrazole;5-tert-butyl-3-ethenyl-1H-pyrazole;4-tert-butyl-3-ethenyl-1,2-thiazole

5-tert-butyl-2-ethenyl-1H-imidazole;4-tert-butyl-2-ethenyl-1-methylimidazole;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;5-tert-butyl-2-ethenyl-1,3-oxazole;5-tert-butyl-3-ethenyl-1,2-oxazole;4-tert-butyl-5-ethenyl-1H-pyrazole;5-tert-butyl-3-ethenyl-1H-pyrazole;4-tert-butyl-3-ethenyl-1,2-thiazole (PubChem CID 158041025) has the molecular formula C102H155N17O4S and a molecular weight of 1715.54 g/mol. Its IUPAC name is 5-tert-butyl-2-ethenyl-1H-imidazole;4-tert-butyl-2-ethenyl-1-methylimidazole;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;5-tert-butyl-2-ethenyl-1,3-oxazole;5-tert-butyl-3-ethenyl-1,2-oxazole;4-tert-butyl-5-ethenyl-1H-pyrazole;5-tert-butyl-3-ethenyl-1H-pyrazole;4-tert-butyl-3-ethenyl-1,2-thiazole.

Molecular Properties

Compound Name5-tert-butyl-2-ethenyl-1H-imidazole;4-tert-butyl-2-ethenyl-1-methylimidazole;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;5-tert-butyl-2-ethenyl-1,3-oxazole;5-tert-butyl-3-ethenyl-1,2-oxazole;4-tert-butyl-5-ethenyl-1H-pyrazole;5-tert-butyl-3-ethenyl-1H-pyrazole;4-tert-butyl-3-ethenyl-1,2-thiazole
PubChem CID158041025
Molecular FormulaC102H155N17O4S
Molecular Weight1715.54 g/mol
Exact Mass1714.22
IUPAC Name5-tert-butyl-2-ethenyl-1H-imidazole;4-tert-butyl-2-ethenyl-1-methylimidazole;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;5-tert-butyl-2-ethenyl-1,3-oxazole;5-tert-butyl-3-ethenyl-1,2-oxazole;4-tert-butyl-5-ethenyl-1H-pyrazole;5-tert-butyl-3-ethenyl-1H-pyrazole;4-tert-butyl-3-ethenyl-1,2-thiazole
SMILESC=Cc1[nH]ncc1C(C)(C)C.C=Cc1cc(C(C)(C)C)[nH]n1.C=Cc1cc(C(C)(C)C)n(C)n1.C=Cc1cc(C(C)(C)C)on1.C=Cc1nc(C(C)(C)C)cn1C.C=Cc1nc(C(C)(C)C)co1.C=Cc1ncc(C(C)(C)C)[nH]1.C=Cc1ncc(C(C)(C)C)o1.C=Cc1nn(C)cc1C(C)(C)C.C=Cc1nocc1C(C)(C)C.C=Cc1nscc1C(C)(C)C
InChIInChI=1S/3C10H16N2.3C9H14N2.4C9H13NO.C9H13NS/c1-6-9-11-8(7-12(9)5)10(2,3)4;1-6-9-8(10(2,3)4)7-12(5)11-9;1-6-8-7-9(10(2,3)4)12(5)11-8;1-5-8-10-6-7(11-8)9(2,3)4;1-5-8-7(6-10-11-8)9(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;1-5-7-6-8(11-10-7)9(2,3)4;1-5-8-7(6-11-10-8)9(2,3)4/h3*6-7H,1H2,2-5H3;3*5-6H,1H2,2-4H3,(H,10,11);5*5-6H,1H2,2-4H3
InChIKeyFIIVLTKNBKMPST-UHFFFAOYSA-N
XLogP27.68
TPSA256.51 Ų
H-Bond Donors3
H-Bond Acceptors19
Rotatable Bonds11
Heavy Atoms124
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001715.54
LogP ≤ 527.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1019

Analyze 5-tert-butyl-2-ethenyl-1H-imidazole;4-tert-butyl-2-ethenyl-1-methylimidazole;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;5-tert-butyl-2-ethenyl-1,3-oxazole;5-tert-butyl-3-ethenyl-1,2-oxazole;4-tert-butyl-5-ethenyl-1H-pyrazole;5-tert-butyl-3-ethenyl-1H-pyrazole;4-tert-butyl-3-ethenyl-1,2-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-ethenyl-1H-imidazole;4-tert-butyl-2-ethenyl-1-methylimidazole;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;5-tert-butyl-2-ethenyl-1,3-oxazole;5-tert-butyl-3-ethenyl-1,2-oxazole;4-tert-butyl-5-ethenyl-1H-pyrazole;5-tert-butyl-3-ethenyl-1H-pyrazole;4-tert-butyl-3-ethenyl-1,2-thiazole?
The IUPAC name of 5-tert-butyl-2-ethenyl-1H-imidazole;4-tert-butyl-2-ethenyl-1-methylimidazole;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;5-tert-butyl-2-ethenyl-1,3-oxazole;5-tert-butyl-3-ethenyl-1,2-oxazole;4-tert-butyl-5-ethenyl-1H-pyrazole;5-tert-butyl-3-ethenyl-1H-pyrazole;4-tert-butyl-3-ethenyl-1,2-thiazole (CID 158041025) is 5-tert-butyl-2-ethenyl-1H-imidazole;4-tert-butyl-2-ethenyl-1-methylimidazole;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;5-tert-butyl-2-ethenyl-1,3-oxazole;5-tert-butyl-3-ethenyl-1,2-oxazole;4-tert-butyl-5-ethenyl-1H-pyrazole;5-tert-butyl-3-ethenyl-1H-pyrazole;4-tert-butyl-3-ethenyl-1,2-thiazole.
What is the SMILES notation for 5-tert-butyl-2-ethenyl-1H-imidazole;4-tert-butyl-2-ethenyl-1-methylimidazole;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;5-tert-butyl-2-ethenyl-1,3-oxazole;5-tert-butyl-3-ethenyl-1,2-oxazole;4-tert-butyl-5-ethenyl-1H-pyrazole;5-tert-butyl-3-ethenyl-1H-pyrazole;4-tert-butyl-3-ethenyl-1,2-thiazole?
The canonical SMILES for 5-tert-butyl-2-ethenyl-1H-imidazole;4-tert-butyl-2-ethenyl-1-methylimidazole;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;5-tert-butyl-2-ethenyl-1,3-oxazole;5-tert-butyl-3-ethenyl-1,2-oxazole;4-tert-butyl-5-ethenyl-1H-pyrazole;5-tert-butyl-3-ethenyl-1H-pyrazole;4-tert-butyl-3-ethenyl-1,2-thiazole is C=Cc1[nH]ncc1C(C)(C)C.C=Cc1cc(C(C)(C)C)[nH]n1.C=Cc1cc(C(C)(C)C)n(C)n1.C=Cc1cc(C(C)(C)C)on1.C=Cc1nc(C(C)(C)C)cn1C.C=Cc1nc(C(C)(C)C)co1.C=Cc1ncc(C(C)(C)C)[nH]1.C=Cc1ncc(C(C)(C)C)o1.C=Cc1nn(C)cc1C(C)(C)C.C=Cc1nocc1C(C)(C)C.C=Cc1nscc1C(C)(C)C.
What is the InChIKey of 5-tert-butyl-2-ethenyl-1H-imidazole;4-tert-butyl-2-ethenyl-1-methylimidazole;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;5-tert-butyl-2-ethenyl-1,3-oxazole;5-tert-butyl-3-ethenyl-1,2-oxazole;4-tert-butyl-5-ethenyl-1H-pyrazole;5-tert-butyl-3-ethenyl-1H-pyrazole;4-tert-butyl-3-ethenyl-1,2-thiazole?
The InChIKey is FIIVLTKNBKMPST-UHFFFAOYSA-N. The full InChI is InChI=1S/3C10H16N2.3C9H14N2.4C9H13NO.C9H13NS/c1-6-9-11-8(7-12(9)5)10(2,3)4;1-6-9-8(10(2,3)4)7-12(5)11-9;1-6-8-7-9(10(2,3)4)12(5)11-8;1-5-8-10-6-7(11-8)9(2,3)4;1-5-8-7(6-10-11-8)9(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;1-5-7-6-8(11-10-7)9(2,3)4;1-5-8-7(6-11-10-8)9(2,3)4/h3*6-7H,1H2,2-5H3;3*5-6H,1H2,2-4H3,(H,10,11);5*5-6H,1H2,2-4H3.
What are the key properties of 5-tert-butyl-2-ethenyl-1H-imidazole;4-tert-butyl-2-ethenyl-1-methylimidazole;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;5-tert-butyl-2-ethenyl-1,3-oxazole;5-tert-butyl-3-ethenyl-1,2-oxazole;4-tert-butyl-5-ethenyl-1H-pyrazole;5-tert-butyl-3-ethenyl-1H-pyrazole;4-tert-butyl-3-ethenyl-1,2-thiazole?
5-tert-butyl-2-ethenyl-1H-imidazole;4-tert-butyl-2-ethenyl-1-methylimidazole;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;5-tert-butyl-2-ethenyl-1,3-oxazole;5-tert-butyl-3-ethenyl-1,2-oxazole;4-tert-butyl-5-ethenyl-1H-pyrazole;5-tert-butyl-3-ethenyl-1H-pyrazole;4-tert-butyl-3-ethenyl-1,2-thiazole has a molecular weight of 1715.54 g/mol, XLogP of 27.68, 11 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-ethenyl-1H-imidazole;4-tert-butyl-2-ethenyl-1-methylimidazole;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;5-tert-butyl-2-ethenyl-1,3-oxazole;5-tert-butyl-3-ethenyl-1,2-oxazole;4-tert-butyl-5-ethenyl-1H-pyrazole;5-tert-butyl-3-ethenyl-1H-pyrazole;4-tert-butyl-3-ethenyl-1,2-thiazole is sourced from PubChem (CID 158041025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).