1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-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)-1,3,4-thiadiazole;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

C141H271N31O4S2 — CID 159199331

IUPAC1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-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)-1,3,4-thiadiazole;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)c1nnc(C(C)C)o1.CC(C)c1nnc(C(C)C)s1.CC(C)c1nnn(C(C)C)n1.CC(C)c1noc(C(C)C)n1
InChIInChI=1S/C13H18N2.2C9H16N2.2C9H15NO.C9H15NS.4C8H15N3.2C8H14N2O.C8H14N2S.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;1-5(2)7-9-8(6(3)4)11-10-7;1-5(2)7-9-10-8(11-7)6(3)4;1-5(2)7-9-8(6(3)4)11-10-7;1-5(2)7-9-10-8(11-7)6(3)4;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);4*5-6H,1-4H3;10*1-2H3
InChIKeyKPBPTAISNAGWEN-UHFFFAOYSA-N
MW2529.07 g/mol
LogP45.20
Rot. Bonds28

About 1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-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)-1,3,4-thiadiazole;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;2,5-di(propan-2-yl)-1,3,4-oxadiazole;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)-1,3,4-thiadiazole;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 159199331) has the molecular formula C141H271N31O4S2 and a molecular weight of 2529.07 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)-1,2,4-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)-1,3,4-thiadiazole;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;2,5-di(propan-2-yl)-1,3,4-oxadiazole;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)-1,3,4-thiadiazole;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 CID159199331
Molecular FormulaC141H271N31O4S2
Molecular Weight2529.07 g/mol
Exact Mass2527.14
IUPAC Name1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-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)-1,3,4-thiadiazole;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)c1nnc(C(C)C)o1.CC(C)c1nnc(C(C)C)s1.CC(C)c1nnn(C(C)C)n1.CC(C)c1noc(C(C)C)n1
InChIInChI=1S/C13H18N2.2C9H16N2.2C9H15NO.C9H15NS.4C8H15N3.2C8H14N2O.C8H14N2S.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;1-5(2)7-9-8(6(3)4)11-10-7;1-5(2)7-9-10-8(11-7)6(3)4;1-5(2)7-9-8(6(3)4)11-10-7;1-5(2)7-9-10-8(11-7)6(3)4;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);4*5-6H,1-4H3;10*1-2H3
InChIKeyKPBPTAISNAGWEN-UHFFFAOYSA-N
XLogP45.20
TPSA399.33 Ų
H-Bond Donors1
H-Bond Acceptors36
Rotatable Bonds28
Heavy Atoms178
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002529.07
LogP ≤ 545.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1036

Analyze 1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-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)-1,3,4-thiadiazole;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;2,5-di(propan-2-yl)-1,3,4-oxadiazole;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)-1,3,4-thiadiazole;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;2,5-di(propan-2-yl)-1,3,4-oxadiazole;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)-1,3,4-thiadiazole;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 159199331) is 1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-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)-1,3,4-thiadiazole;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;2,5-di(propan-2-yl)-1,3,4-oxadiazole;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)-1,3,4-thiadiazole;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;2,5-di(propan-2-yl)-1,3,4-oxadiazole;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)-1,3,4-thiadiazole;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)c1nnc(C(C)C)o1.CC(C)c1nnc(C(C)C)s1.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;2,5-di(propan-2-yl)-1,3,4-oxadiazole;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)-1,3,4-thiadiazole;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 KPBPTAISNAGWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2.2C9H16N2.2C9H15NO.C9H15NS.4C8H15N3.2C8H14N2O.C8H14N2S.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;1-5(2)7-9-8(6(3)4)11-10-7;1-5(2)7-9-10-8(11-7)6(3)4;1-5(2)7-9-8(6(3)4)11-10-7;1-5(2)7-9-10-8(11-7)6(3)4;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);4*5-6H,1-4H3;10*1-2H3.
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)-1,2,4-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)-1,3,4-thiadiazole;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;2,5-di(propan-2-yl)-1,3,4-oxadiazole;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)-1,3,4-thiadiazole;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 2529.07 g/mol, XLogP of 45.20, 28 rotatable bonds, 1 hydrogen bond donors, and 36 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)-1,2,4-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)-1,3,4-thiadiazole;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 159199331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).