5-tert-butyl-4-ethyl-1,3-thiazole;1-tert-butyl-2-methylimidazole;4-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-1-methylpyrazole;5-tert-butyl-4-methyl-1,3-thiazole;3-tert-butyloxetane;3-tert-butyloxolane

C64H112N8O4S2 — CID 157209825

IUPAC5-tert-butyl-4-ethyl-1,3-thiazole;1-tert-butyl-2-methylimidazole;4-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-1-methylpyrazole;5-tert-butyl-4-methyl-1,3-thiazole;3-tert-butyloxetane;3-tert-butyloxolane
SMILESCC(C)(C)C1CCOC1.CC(C)(C)C1COC1.CCc1ncsc1C(C)(C)C.Cc1nccn1C(C)(C)C.Cc1ncoc1C(C)(C)C.Cc1ncsc1C(C)(C)C.Cc1nocc1C(C)(C)C.Cn1nccc1C(C)(C)C
InChIInChI=1S/C9H15NS.2C8H14N2.2C8H13NO.C8H13NS.C8H16O.C7H14O/c1-5-7-8(9(2,3)4)11-6-10-7;1-8(2,3)7-5-6-9-10(7)4;1-7-9-5-6-10(7)8(2,3)4;1-6-7(8(2,3)4)10-5-9-6;1-6-7(5-10-9-6)8(2,3)4;1-6-7(8(2,3)4)10-5-9-6;1-8(2,3)7-4-5-9-6-7;1-7(2,3)6-4-8-5-6/h6H,5H2,1-4H3;2*5-6H,1-4H3;3*5H,1-4H3;7H,4-6H2,1-3H3;6H,4-5H2,1-3H3
InChIKeyARTMRGWCPTXJBI-UHFFFAOYSA-N
MW1121.79 g/mol
LogP17.73
Rot. Bonds1

About 5-tert-butyl-4-ethyl-1,3-thiazole;1-tert-butyl-2-methylimidazole;4-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-1-methylpyrazole;5-tert-butyl-4-methyl-1,3-thiazole;3-tert-butyloxetane;3-tert-butyloxolane

5-tert-butyl-4-ethyl-1,3-thiazole;1-tert-butyl-2-methylimidazole;4-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-1-methylpyrazole;5-tert-butyl-4-methyl-1,3-thiazole;3-tert-butyloxetane;3-tert-butyloxolane (PubChem CID 157209825) has the molecular formula C64H112N8O4S2 and a molecular weight of 1121.79 g/mol. Its IUPAC name is 5-tert-butyl-4-ethyl-1,3-thiazole;1-tert-butyl-2-methylimidazole;4-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-1-methylpyrazole;5-tert-butyl-4-methyl-1,3-thiazole;3-tert-butyloxetane;3-tert-butyloxolane.

Molecular Properties

Compound Name5-tert-butyl-4-ethyl-1,3-thiazole;1-tert-butyl-2-methylimidazole;4-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-1-methylpyrazole;5-tert-butyl-4-methyl-1,3-thiazole;3-tert-butyloxetane;3-tert-butyloxolane
PubChem CID157209825
Molecular FormulaC64H112N8O4S2
Molecular Weight1121.79 g/mol
Exact Mass1120.82
IUPAC Name5-tert-butyl-4-ethyl-1,3-thiazole;1-tert-butyl-2-methylimidazole;4-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-1-methylpyrazole;5-tert-butyl-4-methyl-1,3-thiazole;3-tert-butyloxetane;3-tert-butyloxolane
SMILESCC(C)(C)C1CCOC1.CC(C)(C)C1COC1.CCc1ncsc1C(C)(C)C.Cc1nccn1C(C)(C)C.Cc1ncoc1C(C)(C)C.Cc1ncsc1C(C)(C)C.Cc1nocc1C(C)(C)C.Cn1nccc1C(C)(C)C
InChIInChI=1S/C9H15NS.2C8H14N2.2C8H13NO.C8H13NS.C8H16O.C7H14O/c1-5-7-8(9(2,3)4)11-6-10-7;1-8(2,3)7-5-6-9-10(7)4;1-7-9-5-6-10(7)8(2,3)4;1-6-7(8(2,3)4)10-5-9-6;1-6-7(5-10-9-6)8(2,3)4;1-6-7(8(2,3)4)10-5-9-6;1-8(2,3)7-4-5-9-6-7;1-7(2,3)6-4-8-5-6/h6H,5H2,1-4H3;2*5-6H,1-4H3;3*5H,1-4H3;7H,4-6H2,1-3H3;6H,4-5H2,1-3H3
InChIKeyARTMRGWCPTXJBI-UHFFFAOYSA-N
XLogP17.73
TPSA131.94 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds1
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001121.79
LogP ≤ 517.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 5-tert-butyl-4-ethyl-1,3-thiazole;1-tert-butyl-2-methylimidazole;4-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-1-methylpyrazole;5-tert-butyl-4-methyl-1,3-thiazole;3-tert-butyloxetane;3-tert-butyloxolane with MolForge

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Launch Full Analysis

Related Compounds

4-Tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1-methylimidazole;5-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1-methylimidazole;5-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1-methylpyrazole;4-tert-butyl-1-[2-(2,2-dimethylpropylsulfanyl)ethyl]-2-methylpyrazol-2-ium;4-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,3-oxazole;4-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,2-oxazole;5-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,3-oxazole;5-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,2-oxazole;4-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,2-thiazole
CID 157117008
1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;2,4-di(propan-2-yl)-1,3-oxazole;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;1,4-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)-1,3,4-thiadiazole;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;1,4-di(propan-2-yl)triazole;2,4-di(propan-2-yl)triazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole;methane
CID 157239140
3,4-ditert-butylfuran;1,5-ditert-butylimidazole;bis(4,5-ditert-butyl-1H-imidazole);3,4-ditert-butyl-1,2,5-oxadiazole;bis(3,4-ditert-butyl-1,2-oxazole);bis(4,5-ditert-butyl-1,3-oxazole);1,5-ditert-butylpyrazole;tetrakis(4,5-ditert-butyl-1H-pyrazole);3,4-ditert-butyl-1H-pyrrole;3,4-ditert-butyl-3H-pyrrole;1,5-ditert-butyltetrazole;3,4-ditert-butyl-1,2,5-thiadiazole;bis(3,4-ditert-butyl-1,2-thiazole);bis(4,5-ditert-butyl-1,3-thiazole);3,4-ditert-butylthiophene;4,5-ditert-butyl-2H-triazole;methane
CID 157253524
4-Tert-butyl-2-ethenyl-1-methylimidazole;5-tert-butyl-2-ethenyl-1-methylimidazole;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;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-3-ethenyl-1,2-thiazole
CID 157257827
1-tert-butylcyclopenta-1,3-diene;2-tert-butylcyclopenta-1,3-diene;2-tert-butylfuran;3-tert-butylfuran;1-tert-butylimidazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;4-tert-butyl-3H-pyrazole;1-tert-butylpyrrole;2-tert-butyl-3H-pyrrole;3-tert-butyl-2H-pyrrole;4-tert-butyl-2H-pyrrole;4-tert-butyl-3H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;3-tert-butyl-1,2-thiazole;4-tert-butyl-1,2-thiazole;5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene;1-tert-butyltriazole
CID 157320525
1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;1-methyl-5-(2-methylpropyl)imidazole;1-methyl-3-(2-methylpropyl)pyrazole;1-methyl-4-(2-methylpropyl)pyrazole;1-methyl-5-(2-methylpropyl)pyrazole;2-methyl-5-(2-methylpropyl)tetrazole;1-methyl-4-(2-methylpropyl)triazole;2-(2-methylpropyl)-1,3-oxazole;3-(2-methylpropyl)-1,2-oxazole;4-(2-methylpropyl)-1,2-oxazole;4-(2-methylpropyl)-1,3-oxazole;5-(2-methylpropyl)-1,2-oxazole;5-(2-methylpropyl)-1,3-oxazole;5-(2-methylpropyl)-1H-pyrazole;2-(2-methylpropyl)-1,3-thiazole;3-(2-methylpropyl)-1,2-thiazole;4-(2-methylpropyl)-1,2-thiazole;4-(2-methylpropyl)-1,3-thiazole;5-(2-methylpropyl)-1,2-thiazole;5-(2-methylpropyl)-1,3-thiazole;5-(2-methylpropyl)-1H-1,2,4-triazole
CID 157379214
4-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1-methylimidazole;5-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1-methylimidazole;4-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1-methylpyrazole;5-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1-methylpyrazole;4-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1,3-oxazole;4-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1,2-oxazole;5-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1,3-oxazole;5-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-3H-pyrrole
CID 157453524
4-Tert-butyl-3,5-dimethyl-1,2-oxazole;4,5-ditert-butyl-1,2-dimethylimidazole;4,5-ditert-butyl-1,3-dimethylpyrazole;4,5-ditert-butyl-2-methyl-1,3-oxazole;4,5-ditert-butyl-2-methyl-1,3-thiazole;4,5-ditert-butyl-3-methyl-1,2-thiazole;4,5-ditert-butyl-1-methyltriazole;4,5-ditert-butylthiadiazole
CID 157585514
1-Tert-butyl-2,3-dihydropyridin-6-one;4-tert-butyl-2-ethynyl-1-methylimidazole;5-tert-butyl-2-ethynyl-1-methylimidazole;4-tert-butyl-3-ethynyl-1-methylpyrazole;5-tert-butyl-3-ethynyl-1-methylpyrazole;4-tert-butyl-2-ethynyl-1,3-oxazole;4-tert-butyl-3-ethynyl-1,2-oxazole;5-tert-butyl-2-ethynyl-1,3-oxazole;5-tert-butyl-3-ethynyl-1,2-oxazole;4-tert-butyl-3-ethynyl-1,2-thiazole
CID 157591510
1,5-Dimethylimidazole;3,4-dimethyl-1,2-oxazole;3,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;4,5-dimethylthiadiazole;2,3-dimethylthiophene;1-ethyl-3,5-dimethylpyrazole;5-methyl-1,2-oxazole;4-methylthiadiazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;2,4,5-trimethyl-1,3-oxazole;3,4,5-trimethyl-1,2-oxazole;1,3,5-trimethylpyrazole;2,4,5-trimethyl-1,3-thiazole
CID 157707230
4-tert-butyl-3,5-dimethyl-1,2-oxazole;1-tert-butylimidazole;3-tert-butyl-1-methyl-1,2,4-triazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;1-tert-butyl-2H-pyridine;5-tert-butyl-2H-tetrazole;4-tert-butyl-1,3-thiazole;1-tert-butyl-1,2,4-triazole;5-tert-butyl-1H-1,2,4-triazole;1-(2,2-dimethylpropyl)imidazole
CID 157811197
1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,4-di(propan-2-yl)-1,3-oxazole;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-3H-pyrrole;2,4-di(propan-2-yl)-1,3-thiazole;1,4-di(propan-2-yl)triazole;2,4-di(propan-2-yl)triazole;4-methyl-2,5-di(propan-2-yl)-1,3-oxazole;4-methyl-3,5-di(propan-2-yl)-1,2,4-triazole
CID 158070861

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-4-ethyl-1,3-thiazole;1-tert-butyl-2-methylimidazole;4-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-1-methylpyrazole;5-tert-butyl-4-methyl-1,3-thiazole;3-tert-butyloxetane;3-tert-butyloxolane?
The IUPAC name of 5-tert-butyl-4-ethyl-1,3-thiazole;1-tert-butyl-2-methylimidazole;4-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-1-methylpyrazole;5-tert-butyl-4-methyl-1,3-thiazole;3-tert-butyloxetane;3-tert-butyloxolane (CID 157209825) is 5-tert-butyl-4-ethyl-1,3-thiazole;1-tert-butyl-2-methylimidazole;4-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-1-methylpyrazole;5-tert-butyl-4-methyl-1,3-thiazole;3-tert-butyloxetane;3-tert-butyloxolane.
What is the SMILES notation for 5-tert-butyl-4-ethyl-1,3-thiazole;1-tert-butyl-2-methylimidazole;4-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-1-methylpyrazole;5-tert-butyl-4-methyl-1,3-thiazole;3-tert-butyloxetane;3-tert-butyloxolane?
The canonical SMILES for 5-tert-butyl-4-ethyl-1,3-thiazole;1-tert-butyl-2-methylimidazole;4-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-1-methylpyrazole;5-tert-butyl-4-methyl-1,3-thiazole;3-tert-butyloxetane;3-tert-butyloxolane is CC(C)(C)C1CCOC1.CC(C)(C)C1COC1.CCc1ncsc1C(C)(C)C.Cc1nccn1C(C)(C)C.Cc1ncoc1C(C)(C)C.Cc1ncsc1C(C)(C)C.Cc1nocc1C(C)(C)C.Cn1nccc1C(C)(C)C.
What is the InChIKey of 5-tert-butyl-4-ethyl-1,3-thiazole;1-tert-butyl-2-methylimidazole;4-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-1-methylpyrazole;5-tert-butyl-4-methyl-1,3-thiazole;3-tert-butyloxetane;3-tert-butyloxolane?
The InChIKey is ARTMRGWCPTXJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NS.2C8H14N2.2C8H13NO.C8H13NS.C8H16O.C7H14O/c1-5-7-8(9(2,3)4)11-6-10-7;1-8(2,3)7-5-6-9-10(7)4;1-7-9-5-6-10(7)8(2,3)4;1-6-7(8(2,3)4)10-5-9-6;1-6-7(5-10-9-6)8(2,3)4;1-6-7(8(2,3)4)10-5-9-6;1-8(2,3)7-4-5-9-6-7;1-7(2,3)6-4-8-5-6/h6H,5H2,1-4H3;2*5-6H,1-4H3;3*5H,1-4H3;7H,4-6H2,1-3H3;6H,4-5H2,1-3H3.
What are the key properties of 5-tert-butyl-4-ethyl-1,3-thiazole;1-tert-butyl-2-methylimidazole;4-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-1-methylpyrazole;5-tert-butyl-4-methyl-1,3-thiazole;3-tert-butyloxetane;3-tert-butyloxolane?
5-tert-butyl-4-ethyl-1,3-thiazole;1-tert-butyl-2-methylimidazole;4-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-1-methylpyrazole;5-tert-butyl-4-methyl-1,3-thiazole;3-tert-butyloxetane;3-tert-butyloxolane has a molecular weight of 1121.79 g/mol, XLogP of 17.73, 1 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-4-ethyl-1,3-thiazole;1-tert-butyl-2-methylimidazole;4-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-1-methylpyrazole;5-tert-butyl-4-methyl-1,3-thiazole;3-tert-butyloxetane;3-tert-butyloxolane is sourced from PubChem (CID 157209825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).