tris(3-tert-butyl-2,4-dimethylfuran);4-tert-butyl-3,5-dimethyl-1,2-oxazole;tetrakis(5-tert-butyl-1,4-dimethylpyrazole)

C75H127N9O4 — CID 161211259

IUPACtris(3-tert-butyl-2,4-dimethylfuran);4-tert-butyl-3,5-dimethyl-1,2-oxazole;tetrakis(5-tert-butyl-1,4-dimethylpyrazole)
SMILESCc1cnn(C)c1C(C)(C)C.Cc1cnn(C)c1C(C)(C)C.Cc1cnn(C)c1C(C)(C)C.Cc1cnn(C)c1C(C)(C)C.Cc1coc(C)c1C(C)(C)C.Cc1coc(C)c1C(C)(C)C.Cc1coc(C)c1C(C)(C)C.Cc1noc(C)c1C(C)(C)C
InChIInChI=1S/3C10H16O.4C9H16N2.C9H15NO/c3*1-7-6-11-8(2)9(7)10(3,4)5;4*1-7-6-10-11(5)8(7)9(2,3)4;1-6-8(9(3,4)5)7(2)11-10-6/h7*6H,1-5H3;1-5H3
InChIKeyUWGLOYTVQZELDE-UHFFFAOYSA-N
MW1218.90 g/mol
LogP20.27
Rot. Bonds

About tris(3-tert-butyl-2,4-dimethylfuran);4-tert-butyl-3,5-dimethyl-1,2-oxazole;tetrakis(5-tert-butyl-1,4-dimethylpyrazole)

tris(3-tert-butyl-2,4-dimethylfuran);4-tert-butyl-3,5-dimethyl-1,2-oxazole;tetrakis(5-tert-butyl-1,4-dimethylpyrazole) (PubChem CID 161211259) has the molecular formula C75H127N9O4 and a molecular weight of 1218.90 g/mol. Its IUPAC name is tris(3-tert-butyl-2,4-dimethylfuran);4-tert-butyl-3,5-dimethyl-1,2-oxazole;tetrakis(5-tert-butyl-1,4-dimethylpyrazole).

Molecular Properties

Compound Nametris(3-tert-butyl-2,4-dimethylfuran);4-tert-butyl-3,5-dimethyl-1,2-oxazole;tetrakis(5-tert-butyl-1,4-dimethylpyrazole)
PubChem CID161211259
Molecular FormulaC75H127N9O4
Molecular Weight1218.90 g/mol
Exact Mass1218.00
IUPAC Nametris(3-tert-butyl-2,4-dimethylfuran);4-tert-butyl-3,5-dimethyl-1,2-oxazole;tetrakis(5-tert-butyl-1,4-dimethylpyrazole)
SMILESCc1cnn(C)c1C(C)(C)C.Cc1cnn(C)c1C(C)(C)C.Cc1cnn(C)c1C(C)(C)C.Cc1cnn(C)c1C(C)(C)C.Cc1coc(C)c1C(C)(C)C.Cc1coc(C)c1C(C)(C)C.Cc1coc(C)c1C(C)(C)C.Cc1noc(C)c1C(C)(C)C
InChIInChI=1S/3C10H16O.4C9H16N2.C9H15NO/c3*1-7-6-11-8(2)9(7)10(3,4)5;4*1-7-6-10-11(5)8(7)9(2,3)4;1-6-8(9(3,4)5)7(2)11-10-6/h7*6H,1-5H3;1-5H3
InChIKeyUWGLOYTVQZELDE-UHFFFAOYSA-N
XLogP20.27
TPSA136.73 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001218.90
LogP ≤ 520.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

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Related Compounds

3,5-diethyl-4-propan-2-yl-2H-pyrrole;1,3-dimethyl-2-propan-2-ylcyclopenta-1,3-diene;2,4-dimethyl-3-propan-2-ylfuran;1,3-dimethyl-5-propan-2-ylpyrazole;tris(3,5-dimethyl-4-propan-2-yl-2H-pyrrole);5-ethyl-3-methyl-4-propan-2-yl-2H-pyrrole;3-methyl-1,5-di(propan-2-yl)pyrazole;4-(3-methyl-5-propan-2-ylpyrazol-1-yl)pyridine;3-methyl-4-propan-2-yl-5-(trifluoromethyl)-1,2-oxazole;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole
CID 158865883
3-Tert-butyl-2,4-dimethylfuran;5-tert-butyl-1,4-dimethylpyrazole;5-tert-butyl-1,4-dimethyltriazole
CID 161071919
3-Tert-butyl-2,4-dimethylfuran;5-tert-butyl-1,4-dimethylpyrazole;5-tert-butyl-1,4-dimethyltriazole;methane
CID 164998729
Bis(2,3-dimethylfuran);3,5-dimethyl-1,2-oxazole;1,3-dimethylpyrrole;1,3,5-trimethylpyrazole;1,2,3-trimethylpyrrole
CID 165047373

Frequently Asked Questions

What is the IUPAC name of tris(3-tert-butyl-2,4-dimethylfuran);4-tert-butyl-3,5-dimethyl-1,2-oxazole;tetrakis(5-tert-butyl-1,4-dimethylpyrazole)?
The IUPAC name of tris(3-tert-butyl-2,4-dimethylfuran);4-tert-butyl-3,5-dimethyl-1,2-oxazole;tetrakis(5-tert-butyl-1,4-dimethylpyrazole) (CID 161211259) is tris(3-tert-butyl-2,4-dimethylfuran);4-tert-butyl-3,5-dimethyl-1,2-oxazole;tetrakis(5-tert-butyl-1,4-dimethylpyrazole).
What is the SMILES notation for tris(3-tert-butyl-2,4-dimethylfuran);4-tert-butyl-3,5-dimethyl-1,2-oxazole;tetrakis(5-tert-butyl-1,4-dimethylpyrazole)?
The canonical SMILES for tris(3-tert-butyl-2,4-dimethylfuran);4-tert-butyl-3,5-dimethyl-1,2-oxazole;tetrakis(5-tert-butyl-1,4-dimethylpyrazole) is Cc1cnn(C)c1C(C)(C)C.Cc1cnn(C)c1C(C)(C)C.Cc1cnn(C)c1C(C)(C)C.Cc1cnn(C)c1C(C)(C)C.Cc1coc(C)c1C(C)(C)C.Cc1coc(C)c1C(C)(C)C.Cc1coc(C)c1C(C)(C)C.Cc1noc(C)c1C(C)(C)C.
What is the InChIKey of tris(3-tert-butyl-2,4-dimethylfuran);4-tert-butyl-3,5-dimethyl-1,2-oxazole;tetrakis(5-tert-butyl-1,4-dimethylpyrazole)?
The InChIKey is UWGLOYTVQZELDE-UHFFFAOYSA-N. The full InChI is InChI=1S/3C10H16O.4C9H16N2.C9H15NO/c3*1-7-6-11-8(2)9(7)10(3,4)5;4*1-7-6-10-11(5)8(7)9(2,3)4;1-6-8(9(3,4)5)7(2)11-10-6/h7*6H,1-5H3;1-5H3.
What are the key properties of tris(3-tert-butyl-2,4-dimethylfuran);4-tert-butyl-3,5-dimethyl-1,2-oxazole;tetrakis(5-tert-butyl-1,4-dimethylpyrazole)?
tris(3-tert-butyl-2,4-dimethylfuran);4-tert-butyl-3,5-dimethyl-1,2-oxazole;tetrakis(5-tert-butyl-1,4-dimethylpyrazole) has a molecular weight of 1218.90 g/mol, XLogP of 20.27, 0 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for tris(3-tert-butyl-2,4-dimethylfuran);4-tert-butyl-3,5-dimethyl-1,2-oxazole;tetrakis(5-tert-butyl-1,4-dimethylpyrazole) is sourced from PubChem (CID 161211259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).