1,4-ditert-butylimidazole;3,5-ditert-butyl-1,2,4-oxadiazole;bis(3,5-ditert-butyl-1,2-oxazole);1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole

C65H116N10O3 — CID 160718147

IUPAC1,4-ditert-butylimidazole;3,5-ditert-butyl-1,2,4-oxadiazole;bis(3,5-ditert-butyl-1,2-oxazole);1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole
SMILESCC(C)(C)c1cc(C(C)(C)C)on1.CC(C)(C)c1cc(C(C)(C)C)on1.CC(C)(C)c1ccn(C(C)(C)C)n1.CC(C)(C)c1cn(C(C)(C)C)cn1.CC(C)(C)c1cnn(C(C)(C)C)c1.CC(C)(C)c1noc(C(C)(C)C)n1
InChIInChI=1S/3C11H20N2.2C11H19NO.C10H18N2O/c1-10(2,3)9-7-13(8-12-9)11(4,5)6;1-10(2,3)9-7-12-13(8-9)11(4,5)6;1-10(2,3)9-7-8-13(12-9)11(4,5)6;2*1-10(2,3)8-7-9(13-12-8)11(4,5)6;1-9(2,3)7-11-8(13-12-7)10(4,5)6/h3*7-8H,1-6H3;2*7H,1-6H3;1-6H3
InChIKeyRSTARMYBMVACGY-UHFFFAOYSA-N
MW1085.71 g/mol
LogP18.01
Rot. Bonds

About 1,4-ditert-butylimidazole;3,5-ditert-butyl-1,2,4-oxadiazole;bis(3,5-ditert-butyl-1,2-oxazole);1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole

1,4-ditert-butylimidazole;3,5-ditert-butyl-1,2,4-oxadiazole;bis(3,5-ditert-butyl-1,2-oxazole);1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole (PubChem CID 160718147) has the molecular formula C65H116N10O3 and a molecular weight of 1085.71 g/mol. Its IUPAC name is 1,4-ditert-butylimidazole;3,5-ditert-butyl-1,2,4-oxadiazole;bis(3,5-ditert-butyl-1,2-oxazole);1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole.

Molecular Properties

Compound Name1,4-ditert-butylimidazole;3,5-ditert-butyl-1,2,4-oxadiazole;bis(3,5-ditert-butyl-1,2-oxazole);1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole
PubChem CID160718147
Molecular FormulaC65H116N10O3
Molecular Weight1085.71 g/mol
Exact Mass1084.92
IUPAC Name1,4-ditert-butylimidazole;3,5-ditert-butyl-1,2,4-oxadiazole;bis(3,5-ditert-butyl-1,2-oxazole);1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole
SMILESCC(C)(C)c1cc(C(C)(C)C)on1.CC(C)(C)c1cc(C(C)(C)C)on1.CC(C)(C)c1ccn(C(C)(C)C)n1.CC(C)(C)c1cn(C(C)(C)C)cn1.CC(C)(C)c1cnn(C(C)(C)C)c1.CC(C)(C)c1noc(C(C)(C)C)n1
InChIInChI=1S/3C11H20N2.2C11H19NO.C10H18N2O/c1-10(2,3)9-7-13(8-12-9)11(4,5)6;1-10(2,3)9-7-12-13(8-9)11(4,5)6;1-10(2,3)9-7-8-13(12-9)11(4,5)6;2*1-10(2,3)8-7-9(13-12-8)11(4,5)6;1-9(2,3)7-11-8(13-12-7)10(4,5)6/h3*7-8H,1-6H3;2*7H,1-6H3;1-6H3
InChIKeyRSTARMYBMVACGY-UHFFFAOYSA-N
XLogP18.01
TPSA144.44 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001085.71
LogP ≤ 518.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 1,4-ditert-butylimidazole;3,5-ditert-butyl-1,2,4-oxadiazole;bis(3,5-ditert-butyl-1,2-oxazole);1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,4-ditert-butylimidazole;3,5-ditert-butyl-1,2,4-oxadiazole;bis(3,5-ditert-butyl-1,2-oxazole);1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole?
The IUPAC name of 1,4-ditert-butylimidazole;3,5-ditert-butyl-1,2,4-oxadiazole;bis(3,5-ditert-butyl-1,2-oxazole);1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole (CID 160718147) is 1,4-ditert-butylimidazole;3,5-ditert-butyl-1,2,4-oxadiazole;bis(3,5-ditert-butyl-1,2-oxazole);1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole.
What is the SMILES notation for 1,4-ditert-butylimidazole;3,5-ditert-butyl-1,2,4-oxadiazole;bis(3,5-ditert-butyl-1,2-oxazole);1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole?
The canonical SMILES for 1,4-ditert-butylimidazole;3,5-ditert-butyl-1,2,4-oxadiazole;bis(3,5-ditert-butyl-1,2-oxazole);1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole is CC(C)(C)c1cc(C(C)(C)C)on1.CC(C)(C)c1cc(C(C)(C)C)on1.CC(C)(C)c1ccn(C(C)(C)C)n1.CC(C)(C)c1cn(C(C)(C)C)cn1.CC(C)(C)c1cnn(C(C)(C)C)c1.CC(C)(C)c1noc(C(C)(C)C)n1.
What is the InChIKey of 1,4-ditert-butylimidazole;3,5-ditert-butyl-1,2,4-oxadiazole;bis(3,5-ditert-butyl-1,2-oxazole);1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole?
The InChIKey is RSTARMYBMVACGY-UHFFFAOYSA-N. The full InChI is InChI=1S/3C11H20N2.2C11H19NO.C10H18N2O/c1-10(2,3)9-7-13(8-12-9)11(4,5)6;1-10(2,3)9-7-12-13(8-9)11(4,5)6;1-10(2,3)9-7-8-13(12-9)11(4,5)6;2*1-10(2,3)8-7-9(13-12-8)11(4,5)6;1-9(2,3)7-11-8(13-12-7)10(4,5)6/h3*7-8H,1-6H3;2*7H,1-6H3;1-6H3.
What are the key properties of 1,4-ditert-butylimidazole;3,5-ditert-butyl-1,2,4-oxadiazole;bis(3,5-ditert-butyl-1,2-oxazole);1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole?
1,4-ditert-butylimidazole;3,5-ditert-butyl-1,2,4-oxadiazole;bis(3,5-ditert-butyl-1,2-oxazole);1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole has a molecular weight of 1085.71 g/mol, XLogP of 18.01, 0 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-ditert-butylimidazole;3,5-ditert-butyl-1,2,4-oxadiazole;bis(3,5-ditert-butyl-1,2-oxazole);1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole is sourced from PubChem (CID 160718147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).