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;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;3,5-di(propan-2-yl)-1H-1,2,4-triazole;ethane

C79H155N17O3S — CID 161184723

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;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;3,5-di(propan-2-yl)-1H-1,2,4-triazole;ethane
SMILESCC.CC.CC.CC.CC.CC.CC(C)c1cc(C(C)C)on1.CC(C)c1cn(C(C)C)cn1.CC(C)c1cnc(C(C)C)s1.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/C9H16N2.2C9H15NO.C9H15NS.2C8H15N3.C8H14N2O.C7H14N4.6C2H6/c1-7(2)9-5-11(6-10-9)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;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;6*1-2/h5-8H,1-4H3;4*5-7H,1-4H3;5-6H,1-4H3,(H,9,10,11);2*5-6H,1-4H3;6*1-2H3
InChIKeyUSXYDRMMDIRZQF-UHFFFAOYSA-N
MW1423.29 g/mol
LogP25.70
Rot. Bonds16

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;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;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;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;3,5-di(propan-2-yl)-1H-1,2,4-triazole;ethane (PubChem CID 161184723) has the molecular formula C79H155N17O3S and a molecular weight of 1423.29 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;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;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;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;3,5-di(propan-2-yl)-1H-1,2,4-triazole;ethane
PubChem CID161184723
Molecular FormulaC79H155N17O3S
Molecular Weight1423.29 g/mol
Exact Mass1422.22
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;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;3,5-di(propan-2-yl)-1H-1,2,4-triazole;ethane
SMILESCC.CC.CC.CC.CC.CC.CC(C)c1cc(C(C)C)on1.CC(C)c1cn(C(C)C)cn1.CC(C)c1cnc(C(C)C)s1.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/C9H16N2.2C9H15NO.C9H15NS.2C8H15N3.C8H14N2O.C7H14N4.6C2H6/c1-7(2)9-5-11(6-10-9)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;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;6*1-2/h5-8H,1-4H3;4*5-7H,1-4H3;5-6H,1-4H3,(H,9,10,11);2*5-6H,1-4H3;6*1-2H3
InChIKeyUSXYDRMMDIRZQF-UHFFFAOYSA-N
XLogP25.70
TPSA237.57 Ų
H-Bond Donors1
H-Bond Acceptors20
Rotatable Bonds16
Heavy Atoms100
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001423.29
LogP ≤ 525.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1020

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;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;3,5-di(propan-2-yl)-1H-1,2,4-triazole;ethane with MolForge

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Related Compounds

bis(2,4-di(propan-2-yl)furan);2,5-di(propan-2-yl)furan;bis(1,4-di(propan-2-yl)imidazole);bis(2,5-di(propan-2-yl)-1H-imidazole);bis(2,4-di(propan-2-yl)-1,3-oxazole);bis(2,5-di(propan-2-yl)-1,3-oxazole);bis(1,3-di(propan-2-yl)pyrazole);bis(1,4-di(propan-2-yl)pyrazole);bis(1,3-di(propan-2-yl)pyrrole);bis(2,4-di(propan-2-yl)-1H-pyrrole);2,5-di(propan-2-yl)-1H-pyrrole;2,4-di(propan-2-yl)-1,3-thiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);bis(2,4-di(propan-2-yl)thiophene);2,5-di(propan-2-yl)thiophene
CID 158976874
4-(difluoromethyl)-2,6-di(propan-2-yl)pyridine;bis(3,5-di(propan-2-yl)-1,2,4-oxadiazole);2,4-di(propan-2-yl)-1,3-oxazole;1,3-di(propan-2-yl)pyrazole;bis(2,4-di(propan-2-yl)pyridine);2,6-di(propan-2-yl)pyridine;bis(2,4-di(propan-2-yl)-1,3-thiazol-5-amine);1,3-di(propan-2-yl)-1,2,4-triazole;1-methyl-3,5-di(propan-2-yl)-1,2,4-triazole;2,4,6-tri(propan-2-yl)pyridine
CID 159687360
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
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)-1H-1,2,4-triazole;5-methyl-2,4-di(propan-2-yl)-1,3-oxazole
CID 159031549
4-[4-methyl-4-(3-propan-2-yl-1,2-oxazol-5-yl)pentan-2-yl]-2-propan-2-yl-1,3-oxazole
CID 135280518
3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;4H-imidazole;tris(2-methylpropane);1,2,4-tri(propan-2-yl)cyclopentane;2,4,5-tri(propan-2-yl)-1,3-oxazole;2,4,5-tri(propan-2-yl)-1,3-thiazole;2,4,5-tri(propan-2-yl)triazole
CID 162275599
2-chloro-5-propan-2-ylthiophene;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;1-propan-2-ylpyrrole;5-propan-2-yl-2H-tetrazole
CID 160794119
3,5-di(propan-2-yl)pyridazine;2,5-di(propan-2-yl)-1,3-thiazole-4-carbonitrile;1,3-di(propan-2-yl)-1,2,4-triazole;4-fluoro-2,5-di(propan-2-yl)-1,3-thiazole
CID 160895450
3,5-di(propan-2-yl)-1,2-oxazole;methane
CID 160901645
2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;methane
CID 158635482
1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)pyrazole;3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyrimidine);2,5-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)thiophene;methane
CID 167613412
3,5-di(propan-2-yl)-1H-1,2,4-triazole;molecular hydrogen
CID 154652840

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;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;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;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;3,5-di(propan-2-yl)-1H-1,2,4-triazole;ethane (CID 161184723) 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;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;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;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;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;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;3,5-di(propan-2-yl)-1H-1,2,4-triazole;ethane is CC.CC.CC.CC.CC.CC.CC(C)c1cc(C(C)C)on1.CC(C)c1cn(C(C)C)cn1.CC(C)c1cnc(C(C)C)s1.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;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;3,5-di(propan-2-yl)-1H-1,2,4-triazole;ethane?
The InChIKey is USXYDRMMDIRZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2.2C9H15NO.C9H15NS.2C8H15N3.C8H14N2O.C7H14N4.6C2H6/c1-7(2)9-5-11(6-10-9)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;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;6*1-2/h5-8H,1-4H3;4*5-7H,1-4H3;5-6H,1-4H3,(H,9,10,11);2*5-6H,1-4H3;6*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;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;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;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;3,5-di(propan-2-yl)-1H-1,2,4-triazole;ethane has a molecular weight of 1423.29 g/mol, XLogP of 25.70, 16 rotatable bonds, 1 hydrogen bond donors, and 20 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;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;3,5-di(propan-2-yl)-1H-1,2,4-triazole;ethane is sourced from PubChem (CID 161184723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).