2,5-ditert-butyl-4H-imidazole;3,5-ditert-butyl-1,2,4-oxadiazole;2,4-ditert-butyl-1,3-oxazole;3,5-ditert-butyl-1,2-oxazole

C43H76N6O3 — CID 165062109

IUPAC2,5-ditert-butyl-4H-imidazole;3,5-ditert-butyl-1,2,4-oxadiazole;2,4-ditert-butyl-1,3-oxazole;3,5-ditert-butyl-1,2-oxazole
SMILESCC(C)(C)C1=NC(C(C)(C)C)=NC1.CC(C)(C)c1cc(C(C)(C)C)on1.CC(C)(C)c1coc(C(C)(C)C)n1.CC(C)(C)c1noc(C(C)(C)C)n1
InChIInChI=1S/C11H20N2.2C11H19NO.C10H18N2O/c1-10(2,3)8-7-12-9(13-8)11(4,5)6;1-10(2,3)8-7-13-9(12-8)11(4,5)6;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/h7H2,1-6H3;2*7H,1-6H3;1-6H3
InChIKeyRJJONRJTYBRVGO-UHFFFAOYSA-N
MW725.12 g/mol
LogP12.14
Rot. Bonds

About 2,5-ditert-butyl-4H-imidazole;3,5-ditert-butyl-1,2,4-oxadiazole;2,4-ditert-butyl-1,3-oxazole;3,5-ditert-butyl-1,2-oxazole

2,5-ditert-butyl-4H-imidazole;3,5-ditert-butyl-1,2,4-oxadiazole;2,4-ditert-butyl-1,3-oxazole;3,5-ditert-butyl-1,2-oxazole (PubChem CID 165062109) has the molecular formula C43H76N6O3 and a molecular weight of 725.12 g/mol. Its IUPAC name is 2,5-ditert-butyl-4H-imidazole;3,5-ditert-butyl-1,2,4-oxadiazole;2,4-ditert-butyl-1,3-oxazole;3,5-ditert-butyl-1,2-oxazole.

Molecular Properties

Compound Name2,5-ditert-butyl-4H-imidazole;3,5-ditert-butyl-1,2,4-oxadiazole;2,4-ditert-butyl-1,3-oxazole;3,5-ditert-butyl-1,2-oxazole
PubChem CID165062109
Molecular FormulaC43H76N6O3
Molecular Weight725.12 g/mol
Exact Mass724.60
IUPAC Name2,5-ditert-butyl-4H-imidazole;3,5-ditert-butyl-1,2,4-oxadiazole;2,4-ditert-butyl-1,3-oxazole;3,5-ditert-butyl-1,2-oxazole
SMILESCC(C)(C)C1=NC(C(C)(C)C)=NC1.CC(C)(C)c1cc(C(C)(C)C)on1.CC(C)(C)c1coc(C(C)(C)C)n1.CC(C)(C)c1noc(C(C)(C)C)n1
InChIInChI=1S/C11H20N2.2C11H19NO.C10H18N2O/c1-10(2,3)8-7-12-9(13-8)11(4,5)6;1-10(2,3)8-7-13-9(12-8)11(4,5)6;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/h7H2,1-6H3;2*7H,1-6H3;1-6H3
InChIKeyRJJONRJTYBRVGO-UHFFFAOYSA-N
XLogP12.14
TPSA115.70 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500725.12
LogP ≤ 512.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2,5-ditert-butyl-4H-imidazole;3,5-ditert-butyl-1,2,4-oxadiazole;2,4-ditert-butyl-1,3-oxazole;3,5-ditert-butyl-1,2-oxazole with MolForge

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Launch Full Analysis

Related Compounds

Ethane;5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1,2,4-oxadiazole;2-(1-methylpiperidin-4-yl)-4-propan-2-yl-1,3-oxazole;5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1,2-oxazole
CID 144489004
2-Methyl-4-[2,5,8-trimethyl-5-(4-methyl-1,3-oxazol-2-yl)-8-(5-methyl-1,2-oxazol-3-yl)nonan-2-yl]-1,3-oxazole
CID 146367104
3,5-Ditert-butyl-1,2,4-oxadiazole;2,4-ditert-butyl-1,3-oxazole;bis(3,5-ditert-butyl-1,2-oxazole);methane
CID 157846021
3-Tert-butyl-5-propan-2-yl-1,2,4-oxadiazole;3-tert-butyl-5-propan-2-yl-1,2-oxazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;bis(2,5-di(propan-2-yl)-1,3-oxazole);3,5-di(propan-2-yl)-1,2-oxazole
CID 157949331
Bis(3,5-ditert-butyl-1,2,4-oxadiazole);2,4-ditert-butyl-1,3-oxazole;bis(3,5-ditert-butyl-1,2-oxazole)
CID 159027746
3,5-Di(propan-2-yl)-1,2,4-oxadiazole;2,4-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;1,3-di(propan-2-yl)-1,2,4-triazole;ethane
CID 160146119
Bis(3,5-di(propan-2-yl)-1,2,4-oxadiazole);bis(2,5-di(propan-2-yl)-1,3-oxazole);bis(3,5-di(propan-2-yl)-1,2-oxazole)
CID 167626917

Frequently Asked Questions

What is the IUPAC name of 2,5-ditert-butyl-4H-imidazole;3,5-ditert-butyl-1,2,4-oxadiazole;2,4-ditert-butyl-1,3-oxazole;3,5-ditert-butyl-1,2-oxazole?
The IUPAC name of 2,5-ditert-butyl-4H-imidazole;3,5-ditert-butyl-1,2,4-oxadiazole;2,4-ditert-butyl-1,3-oxazole;3,5-ditert-butyl-1,2-oxazole (CID 165062109) is 2,5-ditert-butyl-4H-imidazole;3,5-ditert-butyl-1,2,4-oxadiazole;2,4-ditert-butyl-1,3-oxazole;3,5-ditert-butyl-1,2-oxazole.
What is the SMILES notation for 2,5-ditert-butyl-4H-imidazole;3,5-ditert-butyl-1,2,4-oxadiazole;2,4-ditert-butyl-1,3-oxazole;3,5-ditert-butyl-1,2-oxazole?
The canonical SMILES for 2,5-ditert-butyl-4H-imidazole;3,5-ditert-butyl-1,2,4-oxadiazole;2,4-ditert-butyl-1,3-oxazole;3,5-ditert-butyl-1,2-oxazole is CC(C)(C)C1=NC(C(C)(C)C)=NC1.CC(C)(C)c1cc(C(C)(C)C)on1.CC(C)(C)c1coc(C(C)(C)C)n1.CC(C)(C)c1noc(C(C)(C)C)n1.
What is the InChIKey of 2,5-ditert-butyl-4H-imidazole;3,5-ditert-butyl-1,2,4-oxadiazole;2,4-ditert-butyl-1,3-oxazole;3,5-ditert-butyl-1,2-oxazole?
The InChIKey is RJJONRJTYBRVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2.2C11H19NO.C10H18N2O/c1-10(2,3)8-7-12-9(13-8)11(4,5)6;1-10(2,3)8-7-13-9(12-8)11(4,5)6;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/h7H2,1-6H3;2*7H,1-6H3;1-6H3.
What are the key properties of 2,5-ditert-butyl-4H-imidazole;3,5-ditert-butyl-1,2,4-oxadiazole;2,4-ditert-butyl-1,3-oxazole;3,5-ditert-butyl-1,2-oxazole?
2,5-ditert-butyl-4H-imidazole;3,5-ditert-butyl-1,2,4-oxadiazole;2,4-ditert-butyl-1,3-oxazole;3,5-ditert-butyl-1,2-oxazole has a molecular weight of 725.12 g/mol, XLogP of 12.14, 0 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-ditert-butyl-4H-imidazole;3,5-ditert-butyl-1,2,4-oxadiazole;2,4-ditert-butyl-1,3-oxazole;3,5-ditert-butyl-1,2-oxazole is sourced from PubChem (CID 165062109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).