1,4-dimethyl-3,5-di(propan-2-yl)pyrazole;ethane;5-methyl-2,4-di(propan-2-yl)-1H-imidazole;4-methyl-2,5-di(propan-2-yl)-1,3-oxazole;4-methyl-2,5-di(propan-2-yl)-1,3-thiazole

C57H120N6OS — CID 158389756

IUPAC1,4-dimethyl-3,5-di(propan-2-yl)pyrazole;ethane;5-methyl-2,4-di(propan-2-yl)-1H-imidazole;4-methyl-2,5-di(propan-2-yl)-1,3-oxazole;4-methyl-2,5-di(propan-2-yl)-1,3-thiazole
SMILESCC.CC.CC.CC.CC.CC.CC.CC.Cc1[nH]c(C(C)C)nc1C(C)C.Cc1c(C(C)C)nn(C)c1C(C)C.Cc1nc(C(C)C)oc1C(C)C.Cc1nc(C(C)C)sc1C(C)C
InChIInChI=1S/C11H20N2.C10H18N2.C10H17NO.C10H17NS.8C2H6/c1-7(2)10-9(5)11(8(3)4)13(6)12-10;3*1-6(2)9-8(5)11-10(12-9)7(3)4;8*1-2/h7-8H,1-6H3;6-7H,1-5H3,(H,11,12);2*6-7H,1-5H3;8*1-2H3
InChIKeyGWUQSBVPOGEXHA-UHFFFAOYSA-N
MW937.69 g/mol
LogP21.08
Rot. Bonds8

About 1,4-dimethyl-3,5-di(propan-2-yl)pyrazole;ethane;5-methyl-2,4-di(propan-2-yl)-1H-imidazole;4-methyl-2,5-di(propan-2-yl)-1,3-oxazole;4-methyl-2,5-di(propan-2-yl)-1,3-thiazole

1,4-dimethyl-3,5-di(propan-2-yl)pyrazole;ethane;5-methyl-2,4-di(propan-2-yl)-1H-imidazole;4-methyl-2,5-di(propan-2-yl)-1,3-oxazole;4-methyl-2,5-di(propan-2-yl)-1,3-thiazole (PubChem CID 158389756) has the molecular formula C57H120N6OS and a molecular weight of 937.69 g/mol. Its IUPAC name is 1,4-dimethyl-3,5-di(propan-2-yl)pyrazole;ethane;5-methyl-2,4-di(propan-2-yl)-1H-imidazole;4-methyl-2,5-di(propan-2-yl)-1,3-oxazole;4-methyl-2,5-di(propan-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name1,4-dimethyl-3,5-di(propan-2-yl)pyrazole;ethane;5-methyl-2,4-di(propan-2-yl)-1H-imidazole;4-methyl-2,5-di(propan-2-yl)-1,3-oxazole;4-methyl-2,5-di(propan-2-yl)-1,3-thiazole
PubChem CID158389756
Molecular FormulaC57H120N6OS
Molecular Weight937.69 g/mol
Exact Mass936.92
IUPAC Name1,4-dimethyl-3,5-di(propan-2-yl)pyrazole;ethane;5-methyl-2,4-di(propan-2-yl)-1H-imidazole;4-methyl-2,5-di(propan-2-yl)-1,3-oxazole;4-methyl-2,5-di(propan-2-yl)-1,3-thiazole
SMILESCC.CC.CC.CC.CC.CC.CC.CC.Cc1[nH]c(C(C)C)nc1C(C)C.Cc1c(C(C)C)nn(C)c1C(C)C.Cc1nc(C(C)C)oc1C(C)C.Cc1nc(C(C)C)sc1C(C)C
InChIInChI=1S/C11H20N2.C10H18N2.C10H17NO.C10H17NS.8C2H6/c1-7(2)10-9(5)11(8(3)4)13(6)12-10;3*1-6(2)9-8(5)11-10(12-9)7(3)4;8*1-2/h7-8H,1-6H3;6-7H,1-5H3,(H,11,12);2*6-7H,1-5H3;8*1-2H3
InChIKeyGWUQSBVPOGEXHA-UHFFFAOYSA-N
XLogP21.08
TPSA85.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500937.69
LogP ≤ 521.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1,4-dimethyl-3,5-di(propan-2-yl)pyrazole;ethane;5-methyl-2,4-di(propan-2-yl)-1H-imidazole;4-methyl-2,5-di(propan-2-yl)-1,3-oxazole;4-methyl-2,5-di(propan-2-yl)-1,3-thiazole with MolForge

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Related Compounds

5-methyl-2,4-di(propan-2-yl)-1H-imidazole
CID 66803864
bis(3,5-di(propan-2-yl)-1,2,4-oxadiazole);bis(3,5-di(propan-2-yl)-1,2,4-thiadiazole);4-methyl-2,5-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);4-methyl-3,5-di(propan-2-yl)-1,2,4-triazole
CID 157158452
1-(4-methyl-5-propan-2-yl-1,3-oxazol-2-yl)ethanamine
CID 115013442
4-iodo-5-methyl-2-propan-2-yl-1H-imidazole
CID 90030591
1-(5-methyl-4-propan-2-yl-1H-imidazol-2-yl)propan-1-amine
CID 82236115
4,6,7-trimethyl-2-propan-2-yl-[1,3]oxazolo[5,4-c]pyridine
CID 58519669
2,4-dimethyl-5-propan-2-yl-1,3-oxazole;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;4,5-dimethyl-2-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;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;2,3,4,5-tetramethyl-6-propan-2-ylpyridine;2,3,4,6-tetramethyl-5-propan-2-ylpyridine;2,3,5,6-tetramethyl-4-propan-2-ylpyridine;1,2,3,4-tetramethyl-5-propan-2-ylpyrrole;1,2,3,5-tetramethyl-4-propan-2-ylpyrrole;2,3,4-trimethyl-5-propan-2-ylfuran;2,3,5-trimethyl-4-propan-2-ylfuran;1,2,4-trimethyl-5-propan-2-ylimidazole;1,2,5-trimethyl-4-propan-2-ylimidazole;1,4,5-trimethyl-2-propan-2-ylimidazole;2,3,5-trimethyl-6-propan-2-ylpyrazine;2,4,5-trimethyl-6-propan-2-ylpyrimidine;4,5,6-trimethyl-2-propan-2-ylpyrimidine;2,3,4-trimethyl-5-propan-2-ylthiophene;2,3,5-trimethyl-4-propan-2-ylthiophene
CID 158183942
2-[1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethylamino]ethanol
CID 115707398
3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;4H-imidazole;tris(2-methylpropane);1,2,4-tri(propan-2-yl)cyclopentane;2,4,5-tri(propan-2-yl)-1,3-oxazole;2,4,5-tri(propan-2-yl)-1,3-thiazole;2,4,5-tri(propan-2-yl)triazole
CID 162275599
2,5-di(propan-2-yl)-1,3-thiazol-4-amine
CID 82373516
2-(azetidin-3-yl)-4-methyl-5-propan-2-yl-1,3-oxazole
CID 105438847
1-[4-methyl-2-(1-methylsulfonylethyl)-1,3-thiazol-5-yl]ethanamine
CID 116633080

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-3,5-di(propan-2-yl)pyrazole;ethane;5-methyl-2,4-di(propan-2-yl)-1H-imidazole;4-methyl-2,5-di(propan-2-yl)-1,3-oxazole;4-methyl-2,5-di(propan-2-yl)-1,3-thiazole?
The IUPAC name of 1,4-dimethyl-3,5-di(propan-2-yl)pyrazole;ethane;5-methyl-2,4-di(propan-2-yl)-1H-imidazole;4-methyl-2,5-di(propan-2-yl)-1,3-oxazole;4-methyl-2,5-di(propan-2-yl)-1,3-thiazole (CID 158389756) is 1,4-dimethyl-3,5-di(propan-2-yl)pyrazole;ethane;5-methyl-2,4-di(propan-2-yl)-1H-imidazole;4-methyl-2,5-di(propan-2-yl)-1,3-oxazole;4-methyl-2,5-di(propan-2-yl)-1,3-thiazole.
What is the SMILES notation for 1,4-dimethyl-3,5-di(propan-2-yl)pyrazole;ethane;5-methyl-2,4-di(propan-2-yl)-1H-imidazole;4-methyl-2,5-di(propan-2-yl)-1,3-oxazole;4-methyl-2,5-di(propan-2-yl)-1,3-thiazole?
The canonical SMILES for 1,4-dimethyl-3,5-di(propan-2-yl)pyrazole;ethane;5-methyl-2,4-di(propan-2-yl)-1H-imidazole;4-methyl-2,5-di(propan-2-yl)-1,3-oxazole;4-methyl-2,5-di(propan-2-yl)-1,3-thiazole is CC.CC.CC.CC.CC.CC.CC.CC.Cc1[nH]c(C(C)C)nc1C(C)C.Cc1c(C(C)C)nn(C)c1C(C)C.Cc1nc(C(C)C)oc1C(C)C.Cc1nc(C(C)C)sc1C(C)C.
What is the InChIKey of 1,4-dimethyl-3,5-di(propan-2-yl)pyrazole;ethane;5-methyl-2,4-di(propan-2-yl)-1H-imidazole;4-methyl-2,5-di(propan-2-yl)-1,3-oxazole;4-methyl-2,5-di(propan-2-yl)-1,3-thiazole?
The InChIKey is GWUQSBVPOGEXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2.C10H18N2.C10H17NO.C10H17NS.8C2H6/c1-7(2)10-9(5)11(8(3)4)13(6)12-10;3*1-6(2)9-8(5)11-10(12-9)7(3)4;8*1-2/h7-8H,1-6H3;6-7H,1-5H3,(H,11,12);2*6-7H,1-5H3;8*1-2H3.
What are the key properties of 1,4-dimethyl-3,5-di(propan-2-yl)pyrazole;ethane;5-methyl-2,4-di(propan-2-yl)-1H-imidazole;4-methyl-2,5-di(propan-2-yl)-1,3-oxazole;4-methyl-2,5-di(propan-2-yl)-1,3-thiazole?
1,4-dimethyl-3,5-di(propan-2-yl)pyrazole;ethane;5-methyl-2,4-di(propan-2-yl)-1H-imidazole;4-methyl-2,5-di(propan-2-yl)-1,3-oxazole;4-methyl-2,5-di(propan-2-yl)-1,3-thiazole has a molecular weight of 937.69 g/mol, XLogP of 21.08, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-3,5-di(propan-2-yl)pyrazole;ethane;5-methyl-2,4-di(propan-2-yl)-1H-imidazole;4-methyl-2,5-di(propan-2-yl)-1,3-oxazole;4-methyl-2,5-di(propan-2-yl)-1,3-thiazole is sourced from PubChem (CID 158389756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).