1,4-di(propan-2-yl)imidazole;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;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)pyrrolo[3,2-b]pyridine;2,5-di(propan-2-yl)tetrazole;2,5-di(propan-2-yl)-1,3-thiazole;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;2,4-di(propan-2-yl)triazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole;ethane

C125H243N27O3S — CID 158602203

IUPAC1,4-di(propan-2-yl)imidazole;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;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)pyrrolo[3,2-b]pyridine;2,5-di(propan-2-yl)tetrazole;2,5-di(propan-2-yl)-1,3-thiazole;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;2,4-di(propan-2-yl)triazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole;ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1cc(C(C)C)on1.CC(C)c1cn(C(C)C)c2cccnc12.CC(C)c1cn(C(C)C)cn1.CC(C)c1cn(C(C)C)nn1.CC(C)c1cnc(C(C)C)s1.CC(C)c1cnn(C(C)C)c1.CC(C)c1cnn(C(C)C)n1.CC(C)c1coc(C(C)C)n1.CC(C)c1n[nH]c(C(C)C)n1.CC(C)c1ncn(C(C)C)n1.CC(C)c1nnn(C(C)C)n1.CC(C)c1noc(C(C)C)n1
InChIInChI=1S/C13H18N2.2C9H16N2.2C9H15NO.C9H15NS.4C8H15N3.C8H14N2O.C7H14N4.10C2H6/c1-9(2)11-8-15(10(3)4)12-6-5-7-14-13(11)12;1-7(2)9-5-11(6-10-9)8(3)4;1-7(2)9-5-10-11(6-9)8(3)4;1-6(2)8-5-11-9(10-8)7(3)4;1-6(2)8-5-9(7(3)4)11-10-8;1-6(2)8-5-10-9(11-8)7(3)4;1-6(2)8-9-5-11(10-8)7(3)4;1-6(2)8-5-11(7(3)4)10-9-8;1-6(2)8-5-9-11(10-8)7(3)4;2*1-5(2)7-9-8(6(3)4)11-10-7;1-5(2)7-8-10-11(9-7)6(3)4;10*1-2/h5-10H,1-4H3;2*5-8H,1-4H3;6*5-7H,1-4H3;5-6H,1-4H3,(H,9,10,11);2*5-6H,1-4H3;10*1-2H3
InChIKeyHVTUPSWFRXYPMK-UHFFFAOYSA-N
MW2204.57 g/mol
LogP40.10
Rot. Bonds24

About 1,4-di(propan-2-yl)imidazole;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;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)pyrrolo[3,2-b]pyridine;2,5-di(propan-2-yl)tetrazole;2,5-di(propan-2-yl)-1,3-thiazole;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;2,4-di(propan-2-yl)triazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole;ethane

1,4-di(propan-2-yl)imidazole;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;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)pyrrolo[3,2-b]pyridine;2,5-di(propan-2-yl)tetrazole;2,5-di(propan-2-yl)-1,3-thiazole;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;2,4-di(propan-2-yl)triazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole;ethane (PubChem CID 158602203) has the molecular formula C125H243N27O3S and a molecular weight of 2204.57 g/mol. Its IUPAC name is 1,4-di(propan-2-yl)imidazole;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;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)pyrrolo[3,2-b]pyridine;2,5-di(propan-2-yl)tetrazole;2,5-di(propan-2-yl)-1,3-thiazole;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;2,4-di(propan-2-yl)triazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole;ethane.

Molecular Properties

Compound Name1,4-di(propan-2-yl)imidazole;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;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)pyrrolo[3,2-b]pyridine;2,5-di(propan-2-yl)tetrazole;2,5-di(propan-2-yl)-1,3-thiazole;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;2,4-di(propan-2-yl)triazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole;ethane
PubChem CID158602203
Molecular FormulaC125H243N27O3S
Molecular Weight2204.57 g/mol
Exact Mass2202.94
IUPAC Name1,4-di(propan-2-yl)imidazole;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;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)pyrrolo[3,2-b]pyridine;2,5-di(propan-2-yl)tetrazole;2,5-di(propan-2-yl)-1,3-thiazole;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;2,4-di(propan-2-yl)triazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole;ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1cc(C(C)C)on1.CC(C)c1cn(C(C)C)c2cccnc12.CC(C)c1cn(C(C)C)cn1.CC(C)c1cn(C(C)C)nn1.CC(C)c1cnc(C(C)C)s1.CC(C)c1cnn(C(C)C)c1.CC(C)c1cnn(C(C)C)n1.CC(C)c1coc(C(C)C)n1.CC(C)c1n[nH]c(C(C)C)n1.CC(C)c1ncn(C(C)C)n1.CC(C)c1nnn(C(C)C)n1.CC(C)c1noc(C(C)C)n1
InChIInChI=1S/C13H18N2.2C9H16N2.2C9H15NO.C9H15NS.4C8H15N3.C8H14N2O.C7H14N4.10C2H6/c1-9(2)11-8-15(10(3)4)12-6-5-7-14-13(11)12;1-7(2)9-5-11(6-10-9)8(3)4;1-7(2)9-5-10-11(6-9)8(3)4;1-6(2)8-5-11-9(10-8)7(3)4;1-6(2)8-5-9(7(3)4)11-10-8;1-6(2)8-5-10-9(11-8)7(3)4;1-6(2)8-9-5-11(10-8)7(3)4;1-6(2)8-5-11(7(3)4)10-9-8;1-6(2)8-5-9-11(10-8)7(3)4;2*1-5(2)7-9-8(6(3)4)11-10-7;1-5(2)7-8-10-11(9-7)6(3)4;10*1-2/h5-10H,1-4H3;2*5-8H,1-4H3;6*5-7H,1-4H3;5-6H,1-4H3,(H,9,10,11);2*5-6H,1-4H3;10*1-2H3
InChIKeyHVTUPSWFRXYPMK-UHFFFAOYSA-N
XLogP40.10
TPSA334.63 Ų
H-Bond Donors1
H-Bond Acceptors30
Rotatable Bonds24
Heavy Atoms156
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002204.57
LogP ≤ 540.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1030

Analyze 1,4-di(propan-2-yl)imidazole;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;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)pyrrolo[3,2-b]pyridine;2,5-di(propan-2-yl)tetrazole;2,5-di(propan-2-yl)-1,3-thiazole;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;2,4-di(propan-2-yl)triazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole;ethane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,4-di(propan-2-yl)imidazole;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;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)pyrrolo[3,2-b]pyridine;2,5-di(propan-2-yl)tetrazole;2,5-di(propan-2-yl)-1,3-thiazole;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;2,4-di(propan-2-yl)triazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole;ethane?
The IUPAC name of 1,4-di(propan-2-yl)imidazole;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;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)pyrrolo[3,2-b]pyridine;2,5-di(propan-2-yl)tetrazole;2,5-di(propan-2-yl)-1,3-thiazole;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;2,4-di(propan-2-yl)triazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole;ethane (CID 158602203) is 1,4-di(propan-2-yl)imidazole;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;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)pyrrolo[3,2-b]pyridine;2,5-di(propan-2-yl)tetrazole;2,5-di(propan-2-yl)-1,3-thiazole;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;2,4-di(propan-2-yl)triazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole;ethane.
What is the SMILES notation for 1,4-di(propan-2-yl)imidazole;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;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)pyrrolo[3,2-b]pyridine;2,5-di(propan-2-yl)tetrazole;2,5-di(propan-2-yl)-1,3-thiazole;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;2,4-di(propan-2-yl)triazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole;ethane?
The canonical SMILES for 1,4-di(propan-2-yl)imidazole;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;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)pyrrolo[3,2-b]pyridine;2,5-di(propan-2-yl)tetrazole;2,5-di(propan-2-yl)-1,3-thiazole;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;2,4-di(propan-2-yl)triazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole;ethane is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1cc(C(C)C)on1.CC(C)c1cn(C(C)C)c2cccnc12.CC(C)c1cn(C(C)C)cn1.CC(C)c1cn(C(C)C)nn1.CC(C)c1cnc(C(C)C)s1.CC(C)c1cnn(C(C)C)c1.CC(C)c1cnn(C(C)C)n1.CC(C)c1coc(C(C)C)n1.CC(C)c1n[nH]c(C(C)C)n1.CC(C)c1ncn(C(C)C)n1.CC(C)c1nnn(C(C)C)n1.CC(C)c1noc(C(C)C)n1.
What is the InChIKey of 1,4-di(propan-2-yl)imidazole;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;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)pyrrolo[3,2-b]pyridine;2,5-di(propan-2-yl)tetrazole;2,5-di(propan-2-yl)-1,3-thiazole;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;2,4-di(propan-2-yl)triazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole;ethane?
The InChIKey is HVTUPSWFRXYPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2.2C9H16N2.2C9H15NO.C9H15NS.4C8H15N3.C8H14N2O.C7H14N4.10C2H6/c1-9(2)11-8-15(10(3)4)12-6-5-7-14-13(11)12;1-7(2)9-5-11(6-10-9)8(3)4;1-7(2)9-5-10-11(6-9)8(3)4;1-6(2)8-5-11-9(10-8)7(3)4;1-6(2)8-5-9(7(3)4)11-10-8;1-6(2)8-5-10-9(11-8)7(3)4;1-6(2)8-9-5-11(10-8)7(3)4;1-6(2)8-5-11(7(3)4)10-9-8;1-6(2)8-5-9-11(10-8)7(3)4;2*1-5(2)7-9-8(6(3)4)11-10-7;1-5(2)7-8-10-11(9-7)6(3)4;10*1-2/h5-10H,1-4H3;2*5-8H,1-4H3;6*5-7H,1-4H3;5-6H,1-4H3,(H,9,10,11);2*5-6H,1-4H3;10*1-2H3.
What are the key properties of 1,4-di(propan-2-yl)imidazole;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;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)pyrrolo[3,2-b]pyridine;2,5-di(propan-2-yl)tetrazole;2,5-di(propan-2-yl)-1,3-thiazole;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;2,4-di(propan-2-yl)triazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole;ethane?
1,4-di(propan-2-yl)imidazole;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;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)pyrrolo[3,2-b]pyridine;2,5-di(propan-2-yl)tetrazole;2,5-di(propan-2-yl)-1,3-thiazole;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;2,4-di(propan-2-yl)triazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole;ethane has a molecular weight of 2204.57 g/mol, XLogP of 40.10, 24 rotatable bonds, 1 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-di(propan-2-yl)imidazole;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;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)pyrrolo[3,2-b]pyridine;2,5-di(propan-2-yl)tetrazole;2,5-di(propan-2-yl)-1,3-thiazole;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;2,4-di(propan-2-yl)triazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole;ethane is sourced from PubChem (CID 158602203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).