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

C48H70N6OS — CID 162063781

IUPAC5-tert-butyl-4-ethenyl-1H-imidazole;5-tert-butyl-4-ethenyl-1,3-oxazole;4-tert-butyl-2-ethenylpyridine;4-tert-butyl-5-ethenyl-3H-pyrrole;5-tert-butyl-4-ethenyl-1,2-thiazole
SMILESC=CC1=C(C(C)(C)C)CC=N1.C=Cc1cc(C(C)(C)C)ccn1.C=Cc1cnsc1C(C)(C)C.C=Cc1nc[nH]c1C(C)(C)C.C=Cc1ncoc1C(C)(C)C
InChIInChI=1S/C11H15N.C10H15N.C9H14N2.C9H13NO.C9H13NS/c1-5-10-8-9(6-7-12-10)11(2,3)4;1-5-9-8(6-7-11-9)10(2,3)4;2*1-5-7-8(9(2,3)4)11-6-10-7;1-5-7-6-10-11-8(7)9(2,3)4/h5-8H,1H2,2-4H3;5,7H,1,6H2,2-4H3;5-6H,1H2,2-4H3,(H,10,11);2*5-6H,1H2,2-4H3
InChIKeyZAELXFXBHFQTCC-UHFFFAOYSA-N
MW779.20 g/mol
LogP14.02
Rot. Bonds5

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

5-tert-butyl-4-ethenyl-1H-imidazole;5-tert-butyl-4-ethenyl-1,3-oxazole;4-tert-butyl-2-ethenylpyridine;4-tert-butyl-5-ethenyl-3H-pyrrole;5-tert-butyl-4-ethenyl-1,2-thiazole (PubChem CID 162063781) has the molecular formula C48H70N6OS and a molecular weight of 779.20 g/mol. Its IUPAC name is 5-tert-butyl-4-ethenyl-1H-imidazole;5-tert-butyl-4-ethenyl-1,3-oxazole;4-tert-butyl-2-ethenylpyridine;4-tert-butyl-5-ethenyl-3H-pyrrole;5-tert-butyl-4-ethenyl-1,2-thiazole.

Molecular Properties

Compound Name5-tert-butyl-4-ethenyl-1H-imidazole;5-tert-butyl-4-ethenyl-1,3-oxazole;4-tert-butyl-2-ethenylpyridine;4-tert-butyl-5-ethenyl-3H-pyrrole;5-tert-butyl-4-ethenyl-1,2-thiazole
PubChem CID162063781
Molecular FormulaC48H70N6OS
Molecular Weight779.20 g/mol
Exact Mass778.53
IUPAC Name5-tert-butyl-4-ethenyl-1H-imidazole;5-tert-butyl-4-ethenyl-1,3-oxazole;4-tert-butyl-2-ethenylpyridine;4-tert-butyl-5-ethenyl-3H-pyrrole;5-tert-butyl-4-ethenyl-1,2-thiazole
SMILESC=CC1=C(C(C)(C)C)CC=N1.C=Cc1cc(C(C)(C)C)ccn1.C=Cc1cnsc1C(C)(C)C.C=Cc1nc[nH]c1C(C)(C)C.C=Cc1ncoc1C(C)(C)C
InChIInChI=1S/C11H15N.C10H15N.C9H14N2.C9H13NO.C9H13NS/c1-5-10-8-9(6-7-12-10)11(2,3)4;1-5-9-8(6-7-11-9)10(2,3)4;2*1-5-7-8(9(2,3)4)11-6-10-7;1-5-7-6-10-11-8(7)9(2,3)4/h5-8H,1H2,2-4H3;5,7H,1,6H2,2-4H3;5-6H,1H2,2-4H3,(H,10,11);2*5-6H,1H2,2-4H3
InChIKeyZAELXFXBHFQTCC-UHFFFAOYSA-N
XLogP14.02
TPSA92.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500779.20
LogP ≤ 514.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Launch Full Analysis

Related Compounds

1,2-ditert-butylcyclopenta-1,3-diene;4,5-ditert-butyl-1H-imidazole;bis(4,5-ditert-butyl-1,3-oxazole);2,3-ditert-butyl-1H-pyrrole;3,4-ditert-butyl-2H-pyrrole;3,4-ditert-butyl-1,2,5-thiadiazole;methane
CID 157159563
4,5-ditert-butyl-1-methylimidazole;4,5-ditert-butyl-1,3-oxazole;2,3-ditert-butyl-1H-pyrrole
CID 157360084
5-tert-butyl-4-ethenyl-1H-imidazole;5-tert-butyl-4-ethenyl-1,3-oxazole;4-tert-butyl-2-ethenylpyridine;3-tert-butyl-2-ethenyl-1H-pyrrole;5-tert-butyl-4-ethenyl-1,3-thiazole;methane
CID 159320891
4,5-ditert-butyl-1-methylimidazole;4,5-ditert-butyl-1,3-oxazole;2,3-ditert-butyl-1H-pyrrole;methane
CID 159386769
4,5-ditert-butyl-1,3-oxazole;2,3-ditert-butylpyridine;3,4-ditert-butylpyridine;4,5-ditert-butylpyrimidine;1H-imidazole
CID 159575416
5-tert-butyl-4-ethenyl-1H-imidazole;5-tert-butyl-4-ethenyl-1,3-oxazole;4-tert-butyl-2-ethenylpyridine;3-tert-butyl-2-ethenyl-1H-pyrrole;5-tert-butyl-4-ethenyl-1,3-thiazole
CID 159941043
1,2-ditert-butylcyclopenta-1,3-diene;4,5-ditert-butyl-1H-imidazole;bis(4,5-ditert-butyl-1,3-oxazole);2,3-ditert-butyl-1H-pyrrole;3,4-ditert-butyl-2H-pyrrole;3,4-ditert-butyl-1,2,5-thiadiazole
CID 160822651
5-tert-butyl-4-ethenyl-1H-imidazole;5-tert-butyl-4-ethenyl-1,3-oxazole;4-tert-butyl-2-ethenylpyridine;4-tert-butyl-5-ethenyl-3H-pyrrole;5-tert-butyl-4-ethenyl-1,3-thiazole
CID 161102804

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-4-ethenyl-1H-imidazole;5-tert-butyl-4-ethenyl-1,3-oxazole;4-tert-butyl-2-ethenylpyridine;4-tert-butyl-5-ethenyl-3H-pyrrole;5-tert-butyl-4-ethenyl-1,2-thiazole?
The IUPAC name of 5-tert-butyl-4-ethenyl-1H-imidazole;5-tert-butyl-4-ethenyl-1,3-oxazole;4-tert-butyl-2-ethenylpyridine;4-tert-butyl-5-ethenyl-3H-pyrrole;5-tert-butyl-4-ethenyl-1,2-thiazole (CID 162063781) is 5-tert-butyl-4-ethenyl-1H-imidazole;5-tert-butyl-4-ethenyl-1,3-oxazole;4-tert-butyl-2-ethenylpyridine;4-tert-butyl-5-ethenyl-3H-pyrrole;5-tert-butyl-4-ethenyl-1,2-thiazole.
What is the SMILES notation for 5-tert-butyl-4-ethenyl-1H-imidazole;5-tert-butyl-4-ethenyl-1,3-oxazole;4-tert-butyl-2-ethenylpyridine;4-tert-butyl-5-ethenyl-3H-pyrrole;5-tert-butyl-4-ethenyl-1,2-thiazole?
The canonical SMILES for 5-tert-butyl-4-ethenyl-1H-imidazole;5-tert-butyl-4-ethenyl-1,3-oxazole;4-tert-butyl-2-ethenylpyridine;4-tert-butyl-5-ethenyl-3H-pyrrole;5-tert-butyl-4-ethenyl-1,2-thiazole is C=CC1=C(C(C)(C)C)CC=N1.C=Cc1cc(C(C)(C)C)ccn1.C=Cc1cnsc1C(C)(C)C.C=Cc1nc[nH]c1C(C)(C)C.C=Cc1ncoc1C(C)(C)C.
What is the InChIKey of 5-tert-butyl-4-ethenyl-1H-imidazole;5-tert-butyl-4-ethenyl-1,3-oxazole;4-tert-butyl-2-ethenylpyridine;4-tert-butyl-5-ethenyl-3H-pyrrole;5-tert-butyl-4-ethenyl-1,2-thiazole?
The InChIKey is ZAELXFXBHFQTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N.C10H15N.C9H14N2.C9H13NO.C9H13NS/c1-5-10-8-9(6-7-12-10)11(2,3)4;1-5-9-8(6-7-11-9)10(2,3)4;2*1-5-7-8(9(2,3)4)11-6-10-7;1-5-7-6-10-11-8(7)9(2,3)4/h5-8H,1H2,2-4H3;5,7H,1,6H2,2-4H3;5-6H,1H2,2-4H3,(H,10,11);2*5-6H,1H2,2-4H3.
What are the key properties of 5-tert-butyl-4-ethenyl-1H-imidazole;5-tert-butyl-4-ethenyl-1,3-oxazole;4-tert-butyl-2-ethenylpyridine;4-tert-butyl-5-ethenyl-3H-pyrrole;5-tert-butyl-4-ethenyl-1,2-thiazole?
5-tert-butyl-4-ethenyl-1H-imidazole;5-tert-butyl-4-ethenyl-1,3-oxazole;4-tert-butyl-2-ethenylpyridine;4-tert-butyl-5-ethenyl-3H-pyrrole;5-tert-butyl-4-ethenyl-1,2-thiazole has a molecular weight of 779.20 g/mol, XLogP of 14.02, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-4-ethenyl-1H-imidazole;5-tert-butyl-4-ethenyl-1,3-oxazole;4-tert-butyl-2-ethenylpyridine;4-tert-butyl-5-ethenyl-3H-pyrrole;5-tert-butyl-4-ethenyl-1,2-thiazole is sourced from PubChem (CID 162063781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).