5-tert-butyl-2,4-dimethyl-1,3-oxazole;1-tert-butyl-2,4,5-trimethylimidazole;4-tert-butyl-1,2,5-trimethylimidazole;5-tert-butyl-1,2,4-trimethylimidazole;4-tert-butyl-1,3,5-trimethylpyrazole;2-tert-butyl-3,4,5-trimethylthiophene;methane

C66H129N9OS — CID 162185764

IUPAC5-tert-butyl-2,4-dimethyl-1,3-oxazole;1-tert-butyl-2,4,5-trimethylimidazole;4-tert-butyl-1,2,5-trimethylimidazole;5-tert-butyl-1,2,4-trimethylimidazole;4-tert-butyl-1,3,5-trimethylpyrazole;2-tert-butyl-3,4,5-trimethylthiophene;methane
SMILESC.C.C.C.C.C.Cc1nc(C(C)(C)C)c(C)n1C.Cc1nc(C)c(C(C)(C)C)o1.Cc1nc(C)n(C(C)(C)C)c1C.Cc1nc(C)n(C)c1C(C)(C)C.Cc1nn(C)c(C)c1C(C)(C)C.Cc1sc(C(C)(C)C)c(C)c1C
InChIInChI=1S/C11H18S.4C10H18N2.C9H15NO.6CH4/c1-7-8(2)10(11(4,5)6)12-9(7)3;1-7-9(10(3,4)5)11-8(2)12(7)6;1-7-9(10(3,4)5)12(6)8(2)11-7;1-7-9(10(3,4)5)8(2)12(6)11-7;1-7-8(2)12(9(3)11-7)10(4,5)6;1-6-8(9(3,4)5)11-7(2)10-6;;;;;;/h5*1-6H3;1-5H3;6*1H4
InChIKeyZPQBUHAUUHKYPK-UHFFFAOYSA-N
MW1096.89 g/mol
LogP19.94
Rot. Bonds

About 5-tert-butyl-2,4-dimethyl-1,3-oxazole;1-tert-butyl-2,4,5-trimethylimidazole;4-tert-butyl-1,2,5-trimethylimidazole;5-tert-butyl-1,2,4-trimethylimidazole;4-tert-butyl-1,3,5-trimethylpyrazole;2-tert-butyl-3,4,5-trimethylthiophene;methane

5-tert-butyl-2,4-dimethyl-1,3-oxazole;1-tert-butyl-2,4,5-trimethylimidazole;4-tert-butyl-1,2,5-trimethylimidazole;5-tert-butyl-1,2,4-trimethylimidazole;4-tert-butyl-1,3,5-trimethylpyrazole;2-tert-butyl-3,4,5-trimethylthiophene;methane (PubChem CID 162185764) has the molecular formula C66H129N9OS and a molecular weight of 1096.89 g/mol. Its IUPAC name is 5-tert-butyl-2,4-dimethyl-1,3-oxazole;1-tert-butyl-2,4,5-trimethylimidazole;4-tert-butyl-1,2,5-trimethylimidazole;5-tert-butyl-1,2,4-trimethylimidazole;4-tert-butyl-1,3,5-trimethylpyrazole;2-tert-butyl-3,4,5-trimethylthiophene;methane.

Molecular Properties

Compound Name5-tert-butyl-2,4-dimethyl-1,3-oxazole;1-tert-butyl-2,4,5-trimethylimidazole;4-tert-butyl-1,2,5-trimethylimidazole;5-tert-butyl-1,2,4-trimethylimidazole;4-tert-butyl-1,3,5-trimethylpyrazole;2-tert-butyl-3,4,5-trimethylthiophene;methane
PubChem CID162185764
Molecular FormulaC66H129N9OS
Molecular Weight1096.89 g/mol
Exact Mass1096.00
IUPAC Name5-tert-butyl-2,4-dimethyl-1,3-oxazole;1-tert-butyl-2,4,5-trimethylimidazole;4-tert-butyl-1,2,5-trimethylimidazole;5-tert-butyl-1,2,4-trimethylimidazole;4-tert-butyl-1,3,5-trimethylpyrazole;2-tert-butyl-3,4,5-trimethylthiophene;methane
SMILESC.C.C.C.C.C.Cc1nc(C(C)(C)C)c(C)n1C.Cc1nc(C)c(C(C)(C)C)o1.Cc1nc(C)n(C(C)(C)C)c1C.Cc1nc(C)n(C)c1C(C)(C)C.Cc1nn(C)c(C)c1C(C)(C)C.Cc1sc(C(C)(C)C)c(C)c1C
InChIInChI=1S/C11H18S.4C10H18N2.C9H15NO.6CH4/c1-7-8(2)10(11(4,5)6)12-9(7)3;1-7-9(10(3,4)5)11-8(2)12(7)6;1-7-9(10(3,4)5)12(6)8(2)11-7;1-7-9(10(3,4)5)8(2)12(6)11-7;1-7-8(2)12(9(3)11-7)10(4,5)6;1-6-8(9(3,4)5)11-7(2)10-6;;;;;;/h5*1-6H3;1-5H3;6*1H4
InChIKeyZPQBUHAUUHKYPK-UHFFFAOYSA-N
XLogP19.94
TPSA97.31 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds
Heavy Atoms77
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001096.89
LogP ≤ 519.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 5-tert-butyl-2,4-dimethyl-1,3-oxazole;1-tert-butyl-2,4,5-trimethylimidazole;4-tert-butyl-1,2,5-trimethylimidazole;5-tert-butyl-1,2,4-trimethylimidazole;4-tert-butyl-1,3,5-trimethylpyrazole;2-tert-butyl-3,4,5-trimethylthiophene;methane with MolForge

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Related Compounds

3,5-Dimethyl-1,2,4-oxadiazole;1,2,4,5-tetramethylimidazole;1,3,4,5-tetramethylpyrazole;2,3,4,5-tetramethylthiophene;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole
CID 157299311
Bis(1,5-dimethyl-2,4-di(propan-2-yl)imidazole);1,4-dimethyl-3,5-di(propan-2-yl)pyrazole;bis(2,4-dimethyl-3,5-di(propan-2-yl)thiophene);3,4-dimethyl-2,5-di(propan-2-yl)thiophene;3,5-di(propan-2-yl)-1,2,4-oxadiazole;bis(4-methyl-2,5-di(propan-2-yl)-1,3-oxazole);bis(5-methyl-2,4-di(propan-2-yl)-1,3-oxazole);bis(4-methyl-2,5-di(propan-2-yl)-1,3-thiazole);bis(5-methyl-2,4-di(propan-2-yl)-1,3-thiazole);bis(1,2,4-trimethyl-3,5-di(propan-2-yl)pyrrole);1,3,4-trimethyl-2,5-di(propan-2-yl)pyrrole
CID 157392256
1,2,3,4,5-Pentamethylpyrrole;tris(1,2,4,5-tetramethylimidazole);bis(1,3,4,5-tetramethylpyrazole);bis(2,4,5-trimethyl-1,3-oxazole);bis(2,4,5-trimethyl-1,3-thiazole)
CID 157558308
1,2,3,4,5-Pentamethylpyrrole;tetrakis(1,2,4,5-tetramethylimidazole);3,4,5,6-tetramethylpyridazine;bis(2,4,5-trimethyl-1,3-oxazole);2,4,5-trimethyl-1,3-thiazole
CID 157592169
1,2,3,4,5-pentamethyl-2H-imidazole-1,3-diium;1,2,3,5,6-pentamethylpyrazin-1-ium;1,3,4,5,6-pentamethylpyridazin-1-ium;1,2,4,5,6-pentamethylpyrimidin-1-ium;2,3,4,5-tetramethyl-1,3-oxazol-3-ium;2,3,4,5-tetramethyl-1,3-thiazol-3-ium;1,3,4,5-tetramethyl-1,2,4-triazol-4-ium
CID 158009225
5-Tert-butyl-2,4-dimethyl-1,3-oxazole;1-tert-butyl-2,4,5-trimethylimidazole;4-tert-butyl-1,2,5-trimethylimidazole;5-tert-butyl-1,2,4-trimethylimidazole;4-tert-butyl-1,3,5-trimethylpyrazole;2-tert-butyl-3,4,5-trimethylthiophene
CID 158142311
1,2,3,4,5,6-Hexamethylpyridin-1-ium;1,2,3,4,5-pentamethylimidazol-1-ium;1,2,3,5,6-pentamethylpyrazin-1-ium;1,2,3,4,5-pentamethylpyrazol-2-ium;1,3,4,5,6-pentamethylpyridazin-1-ium;1,2,4,5,6-pentamethylpyrimidin-1-ium;2,3,4,5-tetramethyl-1,3-oxazol-3-ium;2,3,4,5-tetramethyl-1,3-thiazol-3-ium;1,3,4,5-tetramethyl-1,2,4-triazol-4-ium
CID 158178496
2,3,4,5,6-Pentamethyl-1-propan-2-ylpyridin-1-ium;1,2,4,5-tetramethyl-3-propan-2-ylimidazol-1-ium;2,3,5,6-tetramethyl-1-propan-2-ylpyrazin-1-ium;2,3,4,5-tetramethyl-1-propan-2-ylpyrazol-2-ium;3,4,5,6-tetramethyl-1-propan-2-ylpyridazin-1-ium;2,4,5,6-tetramethyl-1-propan-2-ylpyrimidin-1-ium;2,4,5-trimethyl-3-propan-2-yl-1,3-oxazol-3-ium;2,4,5-trimethyl-3-propan-2-yl-1,3-thiazol-3-ium;1,3,5-trimethyl-4-propan-2-yl-1,2,4-triazol-4-ium
CID 158302054
1,2,4-Tritert-butyl-5-methylimidazole;1,3,4-tritert-butyl-5-methylimidazol-2-one;bis(1,3,4-tritert-butyl-5-methylpyrazole);bis(1,3,5-tritert-butyl-4-methylpyrazole);bis(2,4,5-tritert-butyl-1,3-oxazole);1,3,4-tritert-butylpyrrole-2,5-dione;2,4,5-tritert-butyl-1,3-thiazole;bis(1,3,5-tritert-butyl-1,2,4-triazole);2,4,5-tritert-butyl-1,2,4-triazol-3-one
CID 158352457
1,2,3,5,6-Pentamethylpyrazin-1-ium;1,2,3,4,5-pentamethylpyrazol-2-ium;1,3,4,5,6-pentamethylpyridazin-1-ium;1,2,4,5,6-pentamethylpyrimidin-1-ium;2,3,4,5-tetramethyl-1,3-oxazol-3-ium;2,3,4,5-tetramethyl-1,3-thiazol-3-ium;1,3,4,5-tetramethyl-1,2,4-triazol-4-ium
CID 158407638
2,4-Dimethyl-5-propan-2-yl-1,3-oxazole;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2,5-dimethyl-4-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1,2,5-trimethyl-4-propan-2-ylimidazole;2,4,6-trimethyl-5-propan-2-ylpyrimidine;1,2,3-trimethyl-5-propan-2-ylpyrrole
CID 158429944
Bis(1,2,3,4,5-pentamethylpyrrole);tetrakis(1,2,4,5-tetramethylimidazole);bis(2,4,5-trimethyl-1,3-oxazole);bis(2,4,5-trimethyl-1,3-thiazole)
CID 159154479

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2,4-dimethyl-1,3-oxazole;1-tert-butyl-2,4,5-trimethylimidazole;4-tert-butyl-1,2,5-trimethylimidazole;5-tert-butyl-1,2,4-trimethylimidazole;4-tert-butyl-1,3,5-trimethylpyrazole;2-tert-butyl-3,4,5-trimethylthiophene;methane?
The IUPAC name of 5-tert-butyl-2,4-dimethyl-1,3-oxazole;1-tert-butyl-2,4,5-trimethylimidazole;4-tert-butyl-1,2,5-trimethylimidazole;5-tert-butyl-1,2,4-trimethylimidazole;4-tert-butyl-1,3,5-trimethylpyrazole;2-tert-butyl-3,4,5-trimethylthiophene;methane (CID 162185764) is 5-tert-butyl-2,4-dimethyl-1,3-oxazole;1-tert-butyl-2,4,5-trimethylimidazole;4-tert-butyl-1,2,5-trimethylimidazole;5-tert-butyl-1,2,4-trimethylimidazole;4-tert-butyl-1,3,5-trimethylpyrazole;2-tert-butyl-3,4,5-trimethylthiophene;methane.
What is the SMILES notation for 5-tert-butyl-2,4-dimethyl-1,3-oxazole;1-tert-butyl-2,4,5-trimethylimidazole;4-tert-butyl-1,2,5-trimethylimidazole;5-tert-butyl-1,2,4-trimethylimidazole;4-tert-butyl-1,3,5-trimethylpyrazole;2-tert-butyl-3,4,5-trimethylthiophene;methane?
The canonical SMILES for 5-tert-butyl-2,4-dimethyl-1,3-oxazole;1-tert-butyl-2,4,5-trimethylimidazole;4-tert-butyl-1,2,5-trimethylimidazole;5-tert-butyl-1,2,4-trimethylimidazole;4-tert-butyl-1,3,5-trimethylpyrazole;2-tert-butyl-3,4,5-trimethylthiophene;methane is C.C.C.C.C.C.Cc1nc(C(C)(C)C)c(C)n1C.Cc1nc(C)c(C(C)(C)C)o1.Cc1nc(C)n(C(C)(C)C)c1C.Cc1nc(C)n(C)c1C(C)(C)C.Cc1nn(C)c(C)c1C(C)(C)C.Cc1sc(C(C)(C)C)c(C)c1C.
What is the InChIKey of 5-tert-butyl-2,4-dimethyl-1,3-oxazole;1-tert-butyl-2,4,5-trimethylimidazole;4-tert-butyl-1,2,5-trimethylimidazole;5-tert-butyl-1,2,4-trimethylimidazole;4-tert-butyl-1,3,5-trimethylpyrazole;2-tert-butyl-3,4,5-trimethylthiophene;methane?
The InChIKey is ZPQBUHAUUHKYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18S.4C10H18N2.C9H15NO.6CH4/c1-7-8(2)10(11(4,5)6)12-9(7)3;1-7-9(10(3,4)5)11-8(2)12(7)6;1-7-9(10(3,4)5)12(6)8(2)11-7;1-7-9(10(3,4)5)8(2)12(6)11-7;1-7-8(2)12(9(3)11-7)10(4,5)6;1-6-8(9(3,4)5)11-7(2)10-6;;;;;;/h5*1-6H3;1-5H3;6*1H4.
What are the key properties of 5-tert-butyl-2,4-dimethyl-1,3-oxazole;1-tert-butyl-2,4,5-trimethylimidazole;4-tert-butyl-1,2,5-trimethylimidazole;5-tert-butyl-1,2,4-trimethylimidazole;4-tert-butyl-1,3,5-trimethylpyrazole;2-tert-butyl-3,4,5-trimethylthiophene;methane?
5-tert-butyl-2,4-dimethyl-1,3-oxazole;1-tert-butyl-2,4,5-trimethylimidazole;4-tert-butyl-1,2,5-trimethylimidazole;5-tert-butyl-1,2,4-trimethylimidazole;4-tert-butyl-1,3,5-trimethylpyrazole;2-tert-butyl-3,4,5-trimethylthiophene;methane has a molecular weight of 1096.89 g/mol, XLogP of 19.94, 0 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2,4-dimethyl-1,3-oxazole;1-tert-butyl-2,4,5-trimethylimidazole;4-tert-butyl-1,2,5-trimethylimidazole;5-tert-butyl-1,2,4-trimethylimidazole;4-tert-butyl-1,3,5-trimethylpyrazole;2-tert-butyl-3,4,5-trimethylthiophene;methane is sourced from PubChem (CID 162185764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).