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

C48H70N6OS — CID 159941043

IUPAC5-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
SMILESC=Cc1[nH]ccc1C(C)(C)C.C=Cc1cc(C(C)(C)C)ccn1.C=Cc1nc[nH]c1C(C)(C)C.C=Cc1ncoc1C(C)(C)C.C=Cc1ncsc1C(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;3*1-5-7-8(9(2,3)4)11-6-10-7/h5-8H,1H2,2-4H3;5-7,11H,1H2,2-4H3;5-6H,1H2,2-4H3,(H,10,11);2*5-6H,1H2,2-4H3
InChIKeyOAWPOQMRFXIOHK-UHFFFAOYSA-N
MW779.20 g/mol
LogP14.03
Rot. Bonds5

About 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

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 (PubChem CID 159941043) 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;3-tert-butyl-2-ethenyl-1H-pyrrole;5-tert-butyl-4-ethenyl-1,3-thiazole.

Molecular Properties

Compound Name5-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
PubChem CID159941043
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;3-tert-butyl-2-ethenyl-1H-pyrrole;5-tert-butyl-4-ethenyl-1,3-thiazole
SMILESC=Cc1[nH]ccc1C(C)(C)C.C=Cc1cc(C(C)(C)C)ccn1.C=Cc1nc[nH]c1C(C)(C)C.C=Cc1ncoc1C(C)(C)C.C=Cc1ncsc1C(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;3*1-5-7-8(9(2,3)4)11-6-10-7/h5-8H,1H2,2-4H3;5-7,11H,1H2,2-4H3;5-6H,1H2,2-4H3,(H,10,11);2*5-6H,1H2,2-4H3
InChIKeyOAWPOQMRFXIOHK-UHFFFAOYSA-N
XLogP14.03
TPSA96.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500779.20
LogP ≤ 514.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

5-methyl-4-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-1,3-oxazole
CID 156210321
4-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-1,3-oxazole
CID 156241575
5-Methyl-4-[4-(7-methyl-1,6-dihydropyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-1,3-oxazole
CID 156716994
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
ethane;5-methyl-1H-imidazole;5-methyl-1,3-oxazole;3-methyloxolane;3-methylpyridine;5-methylpyrimidine;5-methyl-3H-pyrrole;5-methyl-1,3-thiazole
CID 157291042
bis(4,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-1,2,4-thiadiazole);bis(4,5-dimethyl-1,3-thiazole);ethane;5-methyl-1H-imidazole;2-methylpyridine;1-methyltriazole;2-methyltriazole;bis(4-methyl-2H-triazole)
CID 157597553
ethane;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1,3-oxazole;3-propan-2-yloxolane;3-propan-2-ylpyridine;5-propan-2-yl-1,3-thiazole
CID 157682153
ethane;2-methyl-3,4-dihydro-2H-pyrrole;5-methyl-1H-imidazole;5-methyl-1,3-oxazole;3-methyloxolane;3-methylpyridine;5-methylpyrimidine;5-methyl-3H-pyrrole;5-methyl-1,3-thiazole
CID 157811678
4,5-di(propan-2-yl)-1H-imidazole;4,5-di(propan-2-yl)-1,3-oxazole;2,3-di(propan-2-yl)pyrazine;4,5-di(propan-2-yl)-1H-pyrazole;3,4-di(propan-2-yl)pyridazine;2,3-di(propan-2-yl)pyridine;4,5-di(propan-2-yl)pyrimidine;2,3-di(propan-2-yl)-1H-pyrrole;4,5-di(propan-2-yl)-1,3-thiazole;ethane
CID 159032432
bis(4,5-dimethyl-1H-imidazole);bis(4,5-dimethyl-1,3-oxazole);tetrakis(4,5-dimethyl-1H-pyrazole);bis(2,3-dimethylpyridine);3,4-dimethylpyridine;bis(4,5-dimethylpyrimidine);bis(4,5-dimethyl-1,3-thiazole)
CID 159230988
ethane;2-methyl-3,4-dihydro-2H-pyrrole;bis(5-methyl-1H-imidazole);5-methyl-1,3-oxazole;3-methyloxolane;3-methylpyridine;5-methylpyrimidine;5-methyl-1,3-thiazole
CID 159273869
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

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;3-tert-butyl-2-ethenyl-1H-pyrrole;5-tert-butyl-4-ethenyl-1,3-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;3-tert-butyl-2-ethenyl-1H-pyrrole;5-tert-butyl-4-ethenyl-1,3-thiazole (CID 159941043) is 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.
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;3-tert-butyl-2-ethenyl-1H-pyrrole;5-tert-butyl-4-ethenyl-1,3-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;3-tert-butyl-2-ethenyl-1H-pyrrole;5-tert-butyl-4-ethenyl-1,3-thiazole is C=Cc1[nH]ccc1C(C)(C)C.C=Cc1cc(C(C)(C)C)ccn1.C=Cc1nc[nH]c1C(C)(C)C.C=Cc1ncoc1C(C)(C)C.C=Cc1ncsc1C(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;3-tert-butyl-2-ethenyl-1H-pyrrole;5-tert-butyl-4-ethenyl-1,3-thiazole?
The InChIKey is OAWPOQMRFXIOHK-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;3*1-5-7-8(9(2,3)4)11-6-10-7/h5-8H,1H2,2-4H3;5-7,11H,1H2,2-4H3;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;3-tert-butyl-2-ethenyl-1H-pyrrole;5-tert-butyl-4-ethenyl-1,3-thiazole?
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 has a molecular weight of 779.20 g/mol, XLogP of 14.03, 5 rotatable bonds, 2 hydrogen bond donors, and 6 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;3-tert-butyl-2-ethenyl-1H-pyrrole;5-tert-butyl-4-ethenyl-1,3-thiazole is sourced from PubChem (CID 159941043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).