1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;bis(1,4-di(propan-2-yl)pyrazole);bis(1,4-di(propan-2-yl)triazole)

C60H107N15O2 — CID 158912114

IUPAC1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;bis(1,4-di(propan-2-yl)pyrazole);bis(1,4-di(propan-2-yl)triazole)
SMILESCC(C)c1cc(C(C)C)on1.CC(C)c1cn(C(C)C)cn1.CC(C)c1cn(C(C)C)nn1.CC(C)c1cn(C(C)C)nn1.CC(C)c1cnn(C(C)C)c1.CC(C)c1cnn(C(C)C)c1.CC(C)c1nnc(C(C)C)o1
InChIInChI=1S/3C9H16N2.C9H15NO.2C8H15N3.C8H14N2O/c1-7(2)9-5-11(6-10-9)8(3)4;2*1-7(2)9-5-10-11(6-9)8(3)4;1-6(2)8-5-9(7(3)4)11-10-8;2*1-6(2)8-5-11(7(3)4)10-9-8;1-5(2)7-9-10-8(11-7)6(3)4/h3*5-8H,1-4H3;3*5-7H,1-4H3;5-6H,1-4H3
InChIKeyJGTWOLPAYZGRAL-UHFFFAOYSA-N
MW1070.62 g/mol
LogP16.96
Rot. Bonds14

About 1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;bis(1,4-di(propan-2-yl)pyrazole);bis(1,4-di(propan-2-yl)triazole)

1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;bis(1,4-di(propan-2-yl)pyrazole);bis(1,4-di(propan-2-yl)triazole) (PubChem CID 158912114) has the molecular formula C60H107N15O2 and a molecular weight of 1070.62 g/mol. Its IUPAC name is 1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;bis(1,4-di(propan-2-yl)pyrazole);bis(1,4-di(propan-2-yl)triazole).

Molecular Properties

Compound Name1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;bis(1,4-di(propan-2-yl)pyrazole);bis(1,4-di(propan-2-yl)triazole)
PubChem CID158912114
Molecular FormulaC60H107N15O2
Molecular Weight1070.62 g/mol
Exact Mass1069.87
IUPAC Name1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;bis(1,4-di(propan-2-yl)pyrazole);bis(1,4-di(propan-2-yl)triazole)
SMILESCC(C)c1cc(C(C)C)on1.CC(C)c1cn(C(C)C)cn1.CC(C)c1cn(C(C)C)nn1.CC(C)c1cn(C(C)C)nn1.CC(C)c1cnn(C(C)C)c1.CC(C)c1cnn(C(C)C)c1.CC(C)c1nnc(C(C)C)o1
InChIInChI=1S/3C9H16N2.C9H15NO.2C8H15N3.C8H14N2O/c1-7(2)9-5-11(6-10-9)8(3)4;2*1-7(2)9-5-10-11(6-9)8(3)4;1-6(2)8-5-9(7(3)4)11-10-8;2*1-6(2)8-5-11(7(3)4)10-9-8;1-5(2)7-9-10-8(11-7)6(3)4/h3*5-8H,1-4H3;3*5-7H,1-4H3;5-6H,1-4H3
InChIKeyJGTWOLPAYZGRAL-UHFFFAOYSA-N
XLogP16.96
TPSA179.83 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds14
Heavy Atoms77
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001070.62
LogP ≤ 516.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;bis(1,4-di(propan-2-yl)pyrazole);bis(1,4-di(propan-2-yl)triazole) with MolForge

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Related Compounds

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3,5-Di(propan-2-yl)-1,2-oxazole;1,3-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1,2-thiazole;1-methyl-2,4-di(propan-2-yl)imidazole
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1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;bis(1,4-di(propan-2-yl)pyrazole);bis(1,4-di(propan-2-yl)triazole);3,5,5-tri(propan-2-yl)-4H-1,2-oxazole
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3,5-Di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;1,4-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1,2-thiazole;1,4-di(propan-2-yl)triazole
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1,4-Dimethyl-5-propan-2-ylimidazole;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1,4-dimethyl-5-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1,2-thiazole;1,4-dimethyl-5-propan-2-yltriazole;3-ethyl-5-methyl-4-propan-2-yl-1,2-oxazole;5-ethyl-3-methyl-4-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-yl-1,2-thiazole;3-methyl-4-propan-2-yl-1,2,4-triazole
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Frequently Asked Questions

What is the IUPAC name of 1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;bis(1,4-di(propan-2-yl)pyrazole);bis(1,4-di(propan-2-yl)triazole)?
The IUPAC name of 1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;bis(1,4-di(propan-2-yl)pyrazole);bis(1,4-di(propan-2-yl)triazole) (CID 158912114) is 1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;bis(1,4-di(propan-2-yl)pyrazole);bis(1,4-di(propan-2-yl)triazole).
What is the SMILES notation for 1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;bis(1,4-di(propan-2-yl)pyrazole);bis(1,4-di(propan-2-yl)triazole)?
The canonical SMILES for 1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;bis(1,4-di(propan-2-yl)pyrazole);bis(1,4-di(propan-2-yl)triazole) is CC(C)c1cc(C(C)C)on1.CC(C)c1cn(C(C)C)cn1.CC(C)c1cn(C(C)C)nn1.CC(C)c1cn(C(C)C)nn1.CC(C)c1cnn(C(C)C)c1.CC(C)c1cnn(C(C)C)c1.CC(C)c1nnc(C(C)C)o1.
What is the InChIKey of 1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;bis(1,4-di(propan-2-yl)pyrazole);bis(1,4-di(propan-2-yl)triazole)?
The InChIKey is JGTWOLPAYZGRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/3C9H16N2.C9H15NO.2C8H15N3.C8H14N2O/c1-7(2)9-5-11(6-10-9)8(3)4;2*1-7(2)9-5-10-11(6-9)8(3)4;1-6(2)8-5-9(7(3)4)11-10-8;2*1-6(2)8-5-11(7(3)4)10-9-8;1-5(2)7-9-10-8(11-7)6(3)4/h3*5-8H,1-4H3;3*5-7H,1-4H3;5-6H,1-4H3.
What are the key properties of 1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;bis(1,4-di(propan-2-yl)pyrazole);bis(1,4-di(propan-2-yl)triazole)?
1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;bis(1,4-di(propan-2-yl)pyrazole);bis(1,4-di(propan-2-yl)triazole) has a molecular weight of 1070.62 g/mol, XLogP of 16.96, 14 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;bis(1,4-di(propan-2-yl)pyrazole);bis(1,4-di(propan-2-yl)triazole) is sourced from PubChem (CID 158912114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).