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;3-tert-butyl-5-ethenyl-2H-pyrrole;4-tert-butyl-5-ethenyl-2H-pyrrole;5-tert-butyl-2-ethenyl-3H-pyrrole;4-tert-butyl-2-ethenyl-1,3-thiazole;4-tert-butyl-3-ethenyl-1,2-thiazole;5-tert-butyl-2-ethenyl-1,3-thiazole

C94H139N11O3S3 — CID 159757367

IUPAC5-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;3-tert-butyl-5-ethenyl-2H-pyrrole;4-tert-butyl-5-ethenyl-2H-pyrrole;5-tert-butyl-2-ethenyl-3H-pyrrole;4-tert-butyl-2-ethenyl-1,3-thiazole;4-tert-butyl-3-ethenyl-1,2-thiazole;5-tert-butyl-2-ethenyl-1,3-thiazole
SMILESC=CC1=NC(C(C)(C)C)=CC1.C=CC1=NCC(C(C)(C)C)=C1.C=CC1=NCC=C1C(C)(C)C.C=Cc1nc(C(C)(C)C)co1.C=Cc1nc(C(C)(C)C)cs1.C=Cc1ncc(C(C)(C)C)n1C.C=Cc1ncc(C(C)(C)C)o1.C=Cc1ncc(C(C)(C)C)s1.C=Cc1nocc1C(C)(C)C.C=Cc1nscc1C(C)(C)C
InChIInChI=1S/C10H16N2.3C10H15N.3C9H13NO.3C9H13NS/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;1-5-8-6-7-9(11-8)10(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;1-5-8-10-7(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;5,7H,1,6H2,2-4H3;6*5-6H,1H2,2-4H3
InChIKeyNELBWZBOABNULD-UHFFFAOYSA-N
MW1567.42 g/mol
LogP27.60
Rot. Bonds10

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;3-tert-butyl-5-ethenyl-2H-pyrrole;4-tert-butyl-5-ethenyl-2H-pyrrole;5-tert-butyl-2-ethenyl-3H-pyrrole;4-tert-butyl-2-ethenyl-1,3-thiazole;4-tert-butyl-3-ethenyl-1,2-thiazole;5-tert-butyl-2-ethenyl-1,3-thiazole

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;3-tert-butyl-5-ethenyl-2H-pyrrole;4-tert-butyl-5-ethenyl-2H-pyrrole;5-tert-butyl-2-ethenyl-3H-pyrrole;4-tert-butyl-2-ethenyl-1,3-thiazole;4-tert-butyl-3-ethenyl-1,2-thiazole;5-tert-butyl-2-ethenyl-1,3-thiazole (PubChem CID 159757367) has the molecular formula C94H139N11O3S3 and a molecular weight of 1567.42 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;3-tert-butyl-5-ethenyl-2H-pyrrole;4-tert-butyl-5-ethenyl-2H-pyrrole;5-tert-butyl-2-ethenyl-3H-pyrrole;4-tert-butyl-2-ethenyl-1,3-thiazole;4-tert-butyl-3-ethenyl-1,2-thiazole;5-tert-butyl-2-ethenyl-1,3-thiazole.

Molecular Properties

Compound Name5-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;3-tert-butyl-5-ethenyl-2H-pyrrole;4-tert-butyl-5-ethenyl-2H-pyrrole;5-tert-butyl-2-ethenyl-3H-pyrrole;4-tert-butyl-2-ethenyl-1,3-thiazole;4-tert-butyl-3-ethenyl-1,2-thiazole;5-tert-butyl-2-ethenyl-1,3-thiazole
PubChem CID159757367
Molecular FormulaC94H139N11O3S3
Molecular Weight1567.42 g/mol
Exact Mass1566.02
IUPAC Name5-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;3-tert-butyl-5-ethenyl-2H-pyrrole;4-tert-butyl-5-ethenyl-2H-pyrrole;5-tert-butyl-2-ethenyl-3H-pyrrole;4-tert-butyl-2-ethenyl-1,3-thiazole;4-tert-butyl-3-ethenyl-1,2-thiazole;5-tert-butyl-2-ethenyl-1,3-thiazole
SMILESC=CC1=NC(C(C)(C)C)=CC1.C=CC1=NCC(C(C)(C)C)=C1.C=CC1=NCC=C1C(C)(C)C.C=Cc1nc(C(C)(C)C)co1.C=Cc1nc(C(C)(C)C)cs1.C=Cc1ncc(C(C)(C)C)n1C.C=Cc1ncc(C(C)(C)C)o1.C=Cc1ncc(C(C)(C)C)s1.C=Cc1nocc1C(C)(C)C.C=Cc1nscc1C(C)(C)C
InChIInChI=1S/C10H16N2.3C10H15N.3C9H13NO.3C9H13NS/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;1-5-8-6-7-9(11-8)10(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;1-5-8-10-7(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;5,7H,1,6H2,2-4H3;6*5-6H,1H2,2-4H3
InChIKeyNELBWZBOABNULD-UHFFFAOYSA-N
XLogP27.60
TPSA171.66 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds10
Heavy Atoms111
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001567.42
LogP ≤ 527.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 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;3-tert-butyl-5-ethenyl-2H-pyrrole;4-tert-butyl-5-ethenyl-2H-pyrrole;5-tert-butyl-2-ethenyl-3H-pyrrole;4-tert-butyl-2-ethenyl-1,3-thiazole;4-tert-butyl-3-ethenyl-1,2-thiazole;5-tert-butyl-2-ethenyl-1,3-thiazole with MolForge

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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;3-tert-butyl-5-ethenyl-2H-pyrrole;4-tert-butyl-5-ethenyl-2H-pyrrole;5-tert-butyl-2-ethenyl-3H-pyrrole;4-tert-butyl-2-ethenyl-1,3-thiazole;4-tert-butyl-3-ethenyl-1,2-thiazole;5-tert-butyl-2-ethenyl-1,3-thiazole?
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;3-tert-butyl-5-ethenyl-2H-pyrrole;4-tert-butyl-5-ethenyl-2H-pyrrole;5-tert-butyl-2-ethenyl-3H-pyrrole;4-tert-butyl-2-ethenyl-1,3-thiazole;4-tert-butyl-3-ethenyl-1,2-thiazole;5-tert-butyl-2-ethenyl-1,3-thiazole (CID 159757367) 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;3-tert-butyl-5-ethenyl-2H-pyrrole;4-tert-butyl-5-ethenyl-2H-pyrrole;5-tert-butyl-2-ethenyl-3H-pyrrole;4-tert-butyl-2-ethenyl-1,3-thiazole;4-tert-butyl-3-ethenyl-1,2-thiazole;5-tert-butyl-2-ethenyl-1,3-thiazole.
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;3-tert-butyl-5-ethenyl-2H-pyrrole;4-tert-butyl-5-ethenyl-2H-pyrrole;5-tert-butyl-2-ethenyl-3H-pyrrole;4-tert-butyl-2-ethenyl-1,3-thiazole;4-tert-butyl-3-ethenyl-1,2-thiazole;5-tert-butyl-2-ethenyl-1,3-thiazole?
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;3-tert-butyl-5-ethenyl-2H-pyrrole;4-tert-butyl-5-ethenyl-2H-pyrrole;5-tert-butyl-2-ethenyl-3H-pyrrole;4-tert-butyl-2-ethenyl-1,3-thiazole;4-tert-butyl-3-ethenyl-1,2-thiazole;5-tert-butyl-2-ethenyl-1,3-thiazole is C=CC1=NC(C(C)(C)C)=CC1.C=CC1=NCC(C(C)(C)C)=C1.C=CC1=NCC=C1C(C)(C)C.C=Cc1nc(C(C)(C)C)co1.C=Cc1nc(C(C)(C)C)cs1.C=Cc1ncc(C(C)(C)C)n1C.C=Cc1ncc(C(C)(C)C)o1.C=Cc1ncc(C(C)(C)C)s1.C=Cc1nocc1C(C)(C)C.C=Cc1nscc1C(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;3-tert-butyl-5-ethenyl-2H-pyrrole;4-tert-butyl-5-ethenyl-2H-pyrrole;5-tert-butyl-2-ethenyl-3H-pyrrole;4-tert-butyl-2-ethenyl-1,3-thiazole;4-tert-butyl-3-ethenyl-1,2-thiazole;5-tert-butyl-2-ethenyl-1,3-thiazole?
The InChIKey is NELBWZBOABNULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2.3C10H15N.3C9H13NO.3C9H13NS/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;1-5-8-6-7-9(11-8)10(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;1-5-8-10-7(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;5,7H,1,6H2,2-4H3;6*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;3-tert-butyl-5-ethenyl-2H-pyrrole;4-tert-butyl-5-ethenyl-2H-pyrrole;5-tert-butyl-2-ethenyl-3H-pyrrole;4-tert-butyl-2-ethenyl-1,3-thiazole;4-tert-butyl-3-ethenyl-1,2-thiazole;5-tert-butyl-2-ethenyl-1,3-thiazole?
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;3-tert-butyl-5-ethenyl-2H-pyrrole;4-tert-butyl-5-ethenyl-2H-pyrrole;5-tert-butyl-2-ethenyl-3H-pyrrole;4-tert-butyl-2-ethenyl-1,3-thiazole;4-tert-butyl-3-ethenyl-1,2-thiazole;5-tert-butyl-2-ethenyl-1,3-thiazole has a molecular weight of 1567.42 g/mol, XLogP of 27.60, 10 rotatable bonds, 0 hydrogen bond donors, and 17 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;3-tert-butyl-5-ethenyl-2H-pyrrole;4-tert-butyl-5-ethenyl-2H-pyrrole;5-tert-butyl-2-ethenyl-3H-pyrrole;4-tert-butyl-2-ethenyl-1,3-thiazole;4-tert-butyl-3-ethenyl-1,2-thiazole;5-tert-butyl-2-ethenyl-1,3-thiazole is sourced from PubChem (CID 159757367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).