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)

C52H88N8O6 — CID 167626917

IUPACbis(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)
SMILESCC(C)c1cc(C(C)C)on1.CC(C)c1cc(C(C)C)on1.CC(C)c1cnc(C(C)C)o1.CC(C)c1cnc(C(C)C)o1.CC(C)c1noc(C(C)C)n1.CC(C)c1noc(C(C)C)n1
InChIInChI=1S/4C9H15NO.2C8H14N2O/c2*1-6(2)8-5-10-9(11-8)7(3)4;2*1-6(2)8-5-9(7(3)4)11-10-8;2*1-5(2)7-9-8(6(3)4)11-10-7/h4*5-7H,1-4H3;2*5-6H,1-4H3
InChIKeyNFTMXFUMMXTSLW-UHFFFAOYSA-N
MW921.33 g/mol
LogP16.32
Rot. Bonds12

About 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)

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) (PubChem CID 167626917) has the molecular formula C52H88N8O6 and a molecular weight of 921.33 g/mol. Its IUPAC name is 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).

Molecular Properties

Compound Namebis(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)
PubChem CID167626917
Molecular FormulaC52H88N8O6
Molecular Weight921.33 g/mol
Exact Mass920.68
IUPAC Namebis(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)
SMILESCC(C)c1cc(C(C)C)on1.CC(C)c1cc(C(C)C)on1.CC(C)c1cnc(C(C)C)o1.CC(C)c1cnc(C(C)C)o1.CC(C)c1noc(C(C)C)n1.CC(C)c1noc(C(C)C)n1
InChIInChI=1S/4C9H15NO.2C8H14N2O/c2*1-6(2)8-5-10-9(11-8)7(3)4;2*1-6(2)8-5-9(7(3)4)11-10-8;2*1-5(2)7-9-8(6(3)4)11-10-7/h4*5-7H,1-4H3;2*5-6H,1-4H3
InChIKeyNFTMXFUMMXTSLW-UHFFFAOYSA-N
XLogP16.32
TPSA181.96 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds12
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500921.33
LogP ≤ 516.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 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) with MolForge

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Launch Full Analysis

Related Compounds

2-Methyl-5-(2-methylpropyl)-1,3,4-oxadiazole;5-methyl-3-(2-methylpropyl)-1,2,4-oxadiazole;2-methyl-5-(2-methylpropyl)-1,3-oxazole;5-methyl-3-(2-methylpropyl)-1,2-oxazole;2-methyl-5-(2-methylpropyl)-1,3,4-thiadiazole;2-methyl-5-(2-methylpropyl)-1,3-thiazole
CID 157372591
2-Tert-butyl-5-methyl-1,3,4-oxadiazole;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-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;ethane;4-methyl-1,3-oxazole
CID 157440026
2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);bis(2,4-dimethyl-1,3-oxazole);bis(2,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-1,2-oxazole);2,4-dimethyl-3H-pyrrole;methane
CID 157611191
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-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);bis(2,4-dimethyl-1,3-oxazole);bis(2,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-1,2-oxazole);2,4-dimethyl-3H-pyrrole
CID 158004811
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
2,5-ditert-butyl-1,3,4-oxadiazole;bis(3,5-ditert-butyl-1,2,4-oxadiazole);bis(2,5-ditert-butyl-1,3-oxazole);bis(3,5-ditert-butyl-1,2-oxazole);bis(3,5-ditert-butyl-1H-pyrazole)
CID 158076258
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
5-Tert-butyl-2-propan-2-yl-1,3-oxazole;3-tert-butyl-5-propan-2-yl-1,2,4-thiadiazole;2-tert-butyl-5-propan-2-yl-1,3-thiazole;3-tert-butyl-5-propan-2-yl-1,2-thiazole;5-tert-butyl-2-propan-2-yl-1,3-thiazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;2,5-di(propan-2-yl)-1,3,4-thiadiazole
CID 158562606
1,3-dimethyl-5-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;4-methyl-1-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;3-methyl-5-propan-2-yl-2H-pyrrole;1-propan-2-yl-3H-pyrrol-2-one
CID 158983360
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

Frequently Asked Questions

What is the IUPAC name of 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)?
The IUPAC name of 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) is 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).
What is the SMILES notation for 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)?
The canonical SMILES for 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) is CC(C)c1cc(C(C)C)on1.CC(C)c1cc(C(C)C)on1.CC(C)c1cnc(C(C)C)o1.CC(C)c1cnc(C(C)C)o1.CC(C)c1noc(C(C)C)n1.CC(C)c1noc(C(C)C)n1.
What is the InChIKey of 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)?
The InChIKey is NFTMXFUMMXTSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/4C9H15NO.2C8H14N2O/c2*1-6(2)8-5-10-9(11-8)7(3)4;2*1-6(2)8-5-9(7(3)4)11-10-8;2*1-5(2)7-9-8(6(3)4)11-10-7/h4*5-7H,1-4H3;2*5-6H,1-4H3.
What are the key properties of 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)?
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) has a molecular weight of 921.33 g/mol, XLogP of 16.32, 12 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 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) is sourced from PubChem (CID 167626917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).