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

C53H93N7O5 — CID 159027746

IUPACbis(3,5-ditert-butyl-1,2,4-oxadiazole);2,4-ditert-butyl-1,3-oxazole;bis(3,5-ditert-butyl-1,2-oxazole)
SMILESCC(C)(C)c1cc(C(C)(C)C)on1.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.CC(C)(C)c1noc(C(C)(C)C)n1
InChIInChI=1S/3C11H19NO.2C10H18N2O/c1-10(2,3)8-7-13-9(12-8)11(4,5)6;2*1-10(2,3)8-7-9(13-12-8)11(4,5)6;2*1-9(2,3)7-11-8(13-12-7)10(4,5)6/h3*7H,1-6H3;2*1-6H3
InChIKeyJUMINHBUEVBOQV-UHFFFAOYSA-N
MW908.37 g/mol
LogP15.14
Rot. Bonds

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

bis(3,5-ditert-butyl-1,2,4-oxadiazole);2,4-ditert-butyl-1,3-oxazole;bis(3,5-ditert-butyl-1,2-oxazole) (PubChem CID 159027746) has the molecular formula C53H93N7O5 and a molecular weight of 908.37 g/mol. Its IUPAC name is bis(3,5-ditert-butyl-1,2,4-oxadiazole);2,4-ditert-butyl-1,3-oxazole;bis(3,5-ditert-butyl-1,2-oxazole).

Molecular Properties

Compound Namebis(3,5-ditert-butyl-1,2,4-oxadiazole);2,4-ditert-butyl-1,3-oxazole;bis(3,5-ditert-butyl-1,2-oxazole)
PubChem CID159027746
Molecular FormulaC53H93N7O5
Molecular Weight908.37 g/mol
Exact Mass907.72
IUPAC Namebis(3,5-ditert-butyl-1,2,4-oxadiazole);2,4-ditert-butyl-1,3-oxazole;bis(3,5-ditert-butyl-1,2-oxazole)
SMILESCC(C)(C)c1cc(C(C)(C)C)on1.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.CC(C)(C)c1noc(C(C)(C)C)n1
InChIInChI=1S/3C11H19NO.2C10H18N2O/c1-10(2,3)8-7-13-9(12-8)11(4,5)6;2*1-10(2,3)8-7-9(13-12-8)11(4,5)6;2*1-9(2,3)7-11-8(13-12-7)10(4,5)6/h3*7H,1-6H3;2*1-6H3
InChIKeyJUMINHBUEVBOQV-UHFFFAOYSA-N
XLogP15.14
TPSA155.93 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500908.37
LogP ≤ 515.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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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
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
2,5-Bis(2,2-dimethylpropyl)-1,3,4-oxadiazole;bis(3,5-bis(2,2-dimethylpropyl)-1,2,4-oxadiazole);bis(2,4-bis(2,2-dimethylpropyl)-1,3-oxazole);bis(2,5-bis(2,2-dimethylpropyl)-1,3-oxazole);bis(3,5-bis(2,2-dimethylpropyl)-1,2-oxazole);5,5-dimethyl-1-[(2-methylpropan-2-yl)oxy]hexane;bis(2,2,8,8-tetramethylnonane)
CID 158046977
Argon;ethane;2-methylpropane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;bis(3-methyl-5-propan-2-yl-1,2,4-oxadiazole);5-methyl-3-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1,3-oxazole;4-methyl-2-propan-2-yl-1,3-oxazole;4-methyl-5-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole
CID 158201256
3-Tert-butyl-4-methyl-1,2,5-oxadiazole;3-tert-butyl-5-methyl-1,2,4-oxadiazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole;2-tert-butyl-5-methyl-1,3-oxazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;ethane
CID 159048237
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
2,5-Dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;bis(2,4-dimethyl-1,3-oxazole);bis(3,5-dimethyl-1,2-oxazole)
CID 161714351
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
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 bis(3,5-ditert-butyl-1,2,4-oxadiazole);2,4-ditert-butyl-1,3-oxazole;bis(3,5-ditert-butyl-1,2-oxazole)?
The IUPAC name of 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) is bis(3,5-ditert-butyl-1,2,4-oxadiazole);2,4-ditert-butyl-1,3-oxazole;bis(3,5-ditert-butyl-1,2-oxazole).
What is the SMILES notation for bis(3,5-ditert-butyl-1,2,4-oxadiazole);2,4-ditert-butyl-1,3-oxazole;bis(3,5-ditert-butyl-1,2-oxazole)?
The canonical SMILES for bis(3,5-ditert-butyl-1,2,4-oxadiazole);2,4-ditert-butyl-1,3-oxazole;bis(3,5-ditert-butyl-1,2-oxazole) is CC(C)(C)c1cc(C(C)(C)C)on1.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.CC(C)(C)c1noc(C(C)(C)C)n1.
What is the InChIKey of bis(3,5-ditert-butyl-1,2,4-oxadiazole);2,4-ditert-butyl-1,3-oxazole;bis(3,5-ditert-butyl-1,2-oxazole)?
The InChIKey is JUMINHBUEVBOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/3C11H19NO.2C10H18N2O/c1-10(2,3)8-7-13-9(12-8)11(4,5)6;2*1-10(2,3)8-7-9(13-12-8)11(4,5)6;2*1-9(2,3)7-11-8(13-12-7)10(4,5)6/h3*7H,1-6H3;2*1-6H3.
What are the key properties of bis(3,5-ditert-butyl-1,2,4-oxadiazole);2,4-ditert-butyl-1,3-oxazole;bis(3,5-ditert-butyl-1,2-oxazole)?
bis(3,5-ditert-butyl-1,2,4-oxadiazole);2,4-ditert-butyl-1,3-oxazole;bis(3,5-ditert-butyl-1,2-oxazole) has a molecular weight of 908.37 g/mol, XLogP of 15.14, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,5-ditert-butyl-1,2,4-oxadiazole);2,4-ditert-butyl-1,3-oxazole;bis(3,5-ditert-butyl-1,2-oxazole) is sourced from PubChem (CID 159027746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).