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

C72H130N16O3 — CID 158612499

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);3,5,5-tri(propan-2-yl)-4H-1,2-oxazole
SMILESCC(C)C1=NOC(C(C)C)(C(C)C)C1.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
InChIInChI=1S/C12H23NO.3C9H16N2.C9H15NO.2C8H15N3.C8H14N2O/c1-8(2)11-7-12(9(3)4,10(5)6)14-13-11;1-7(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/h8-10H,7H2,1-6H3;3*5-8H,1-4H3;3*5-7H,1-4H3;5-6H,1-4H3
InChIKeyHWZVGQOHYRNNST-UHFFFAOYSA-N
MW1267.94 g/mol
LogP20.43
Rot. Bonds17

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);3,5,5-tri(propan-2-yl)-4H-1,2-oxazole

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 (PubChem CID 158612499) has the molecular formula C72H130N16O3 and a molecular weight of 1267.94 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);3,5,5-tri(propan-2-yl)-4H-1,2-oxazole.

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);3,5,5-tri(propan-2-yl)-4H-1,2-oxazole
PubChem CID158612499
Molecular FormulaC72H130N16O3
Molecular Weight1267.94 g/mol
Exact Mass1267.05
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);3,5,5-tri(propan-2-yl)-4H-1,2-oxazole
SMILESCC(C)C1=NOC(C(C)C)(C(C)C)C1.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
InChIInChI=1S/C12H23NO.3C9H16N2.C9H15NO.2C8H15N3.C8H14N2O/c1-8(2)11-7-12(9(3)4,10(5)6)14-13-11;1-7(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/h8-10H,7H2,1-6H3;3*5-8H,1-4H3;3*5-7H,1-4H3;5-6H,1-4H3
InChIKeyHWZVGQOHYRNNST-UHFFFAOYSA-N
XLogP20.43
TPSA201.42 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds17
Heavy Atoms91
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001267.94
LogP ≤ 520.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

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);3,5,5-tri(propan-2-yl)-4H-1,2-oxazole with MolForge

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Related Compounds

3,4-Dimethyl-5-propan-2-yl-1,2-oxazole;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-5-propan-2-yl-1,2-thiazole;3-propan-2-yl-1,2-oxazole
CID 157178042
1-Cyclopropyl-5-propan-2-ylimidazole;5-cyclopropyl-1-propan-2-ylimidazole;bis(4-cyclopropyl-3-propan-2-yl-1,2-oxazole);4-cyclopropyl-5-propan-2-yl-1,2-oxazole;bis(4-cyclopropyl-3-propan-2-yl-1,2,4-triazole);bis(5-cyclopropyl-1-propan-2-yltriazole);1-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole
CID 157492845
3,4-Dimethyl-5-propan-2-yl-1,2-oxazole;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-5-propan-2-yl-1,2-thiazole;3-propan-2-yl-1,2-oxazole
CID 157642009
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
CID 157906759
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
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
1,4-Ditert-butylimidazole;1,4-ditert-butyl-3-methyl-2-methylideneimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;bis(3,5-ditert-butyl-1,2,4-oxadiazole);3,5-ditert-butyl-1,2-oxazole;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;1,4-ditert-butyltriazole;2,4-ditert-butyltriazole
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1-Cyclopropyl-5-propan-2-ylimidazole;5-cyclopropyl-1-propan-2-ylimidazole;3-cyclopropyl-4-propan-2-yl-1,2,5-oxadiazole;4-cyclopropyl-3-propan-2-yl-1,2-oxazole;4-cyclopropyl-5-propan-2-yl-1,2-oxazole;1-cyclopropyl-5-propan-2-yltetrazole;5-cyclopropyl-1-propan-2-yltetrazole;4-cyclopropyl-3-propan-2-yl-1,2,4-triazole;5-cyclopropyl-1-propan-2-yltriazole;1-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole
CID 159220992
1-Cyclopropyl-5-propan-2-ylimidazole;5-cyclopropyl-1-propan-2-ylimidazole;bis(4-cyclopropyl-3-propan-2-yl-1,2-oxazole);4-cyclopropyl-5-propan-2-yl-1,2-oxazole;bis(4-cyclopropyl-3-propan-2-yl-1,2,4-triazole);bis(5-cyclopropyl-1-propan-2-yltriazole);1-propan-2-ylimidazole;1-propan-2-yltriazole
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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);3,5,5-tri(propan-2-yl)-4H-1,2-oxazole?
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);3,5,5-tri(propan-2-yl)-4H-1,2-oxazole (CID 158612499) 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);3,5,5-tri(propan-2-yl)-4H-1,2-oxazole.
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);3,5,5-tri(propan-2-yl)-4H-1,2-oxazole?
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);3,5,5-tri(propan-2-yl)-4H-1,2-oxazole is CC(C)C1=NOC(C(C)C)(C(C)C)C1.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);3,5,5-tri(propan-2-yl)-4H-1,2-oxazole?
The InChIKey is HWZVGQOHYRNNST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO.3C9H16N2.C9H15NO.2C8H15N3.C8H14N2O/c1-8(2)11-7-12(9(3)4,10(5)6)14-13-11;1-7(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/h8-10H,7H2,1-6H3;3*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);3,5,5-tri(propan-2-yl)-4H-1,2-oxazole?
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 has a molecular weight of 1267.94 g/mol, XLogP of 20.43, 17 rotatable bonds, 0 hydrogen bond donors, and 19 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);3,5,5-tri(propan-2-yl)-4H-1,2-oxazole is sourced from PubChem (CID 158612499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).