4-tert-butyl-2,1,3-benzoxadiazole;3-tert-butylimidazo[1,2-a]pyridine;3-tert-butylimidazo[1,2-a]pyrimidine;3-tert-butylimidazo[1,2-b]pyridazine;5-tert-butylimidazo[2,1-b][1,3]thiazole;4-tert-butyl-1,2-oxazole;3-tert-butylpyrazolo[1,5-a]pyrimidine;ethane

C81H130N16O2S — CID 160810738

IUPAC4-tert-butyl-2,1,3-benzoxadiazole;3-tert-butylimidazo[1,2-a]pyridine;3-tert-butylimidazo[1,2-a]pyrimidine;3-tert-butylimidazo[1,2-b]pyridazine;5-tert-butylimidazo[2,1-b][1,3]thiazole;4-tert-butyl-1,2-oxazole;3-tert-butylpyrazolo[1,5-a]pyrimidine;ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC(C)(C)c1cccc2nonc12.CC(C)(C)c1cnc2ccccn12.CC(C)(C)c1cnc2cccnn12.CC(C)(C)c1cnc2ncccn12.CC(C)(C)c1cnc2sccn12.CC(C)(C)c1cnn2cccnc12.CC(C)(C)c1cnoc1
InChIInChI=1S/C11H14N2.3C10H13N3.C10H12N2O.C9H12N2S.C7H11NO.7C2H6/c1-11(2,3)9-8-12-10-6-4-5-7-13(9)10;1-10(2,3)8-7-12-9-11-5-4-6-13(8)9;1-10(2,3)8-7-12-13-6-4-5-11-9(8)13;1-10(2,3)8-7-11-9-5-4-6-12-13(8)9;1-10(2,3)7-5-4-6-8-9(7)12-13-11-8;1-9(2,3)7-6-10-8-11(7)4-5-12-8;1-7(2,3)6-4-8-9-5-6;7*1-2/h4-8H,1-3H3;3*4-7H,1-3H3;4-6H,1-3H3;4-6H,1-3H3;4-5H,1-3H3;7*1-2H3
InChIKeySEHAOEKIYDSNJM-UHFFFAOYSA-N
MW1392.11 g/mol
LogP23.08
Rot. Bonds

About 4-tert-butyl-2,1,3-benzoxadiazole;3-tert-butylimidazo[1,2-a]pyridine;3-tert-butylimidazo[1,2-a]pyrimidine;3-tert-butylimidazo[1,2-b]pyridazine;5-tert-butylimidazo[2,1-b][1,3]thiazole;4-tert-butyl-1,2-oxazole;3-tert-butylpyrazolo[1,5-a]pyrimidine;ethane

4-tert-butyl-2,1,3-benzoxadiazole;3-tert-butylimidazo[1,2-a]pyridine;3-tert-butylimidazo[1,2-a]pyrimidine;3-tert-butylimidazo[1,2-b]pyridazine;5-tert-butylimidazo[2,1-b][1,3]thiazole;4-tert-butyl-1,2-oxazole;3-tert-butylpyrazolo[1,5-a]pyrimidine;ethane (PubChem CID 160810738) has the molecular formula C81H130N16O2S and a molecular weight of 1392.11 g/mol. Its IUPAC name is 4-tert-butyl-2,1,3-benzoxadiazole;3-tert-butylimidazo[1,2-a]pyridine;3-tert-butylimidazo[1,2-a]pyrimidine;3-tert-butylimidazo[1,2-b]pyridazine;5-tert-butylimidazo[2,1-b][1,3]thiazole;4-tert-butyl-1,2-oxazole;3-tert-butylpyrazolo[1,5-a]pyrimidine;ethane.

Molecular Properties

Compound Name4-tert-butyl-2,1,3-benzoxadiazole;3-tert-butylimidazo[1,2-a]pyridine;3-tert-butylimidazo[1,2-a]pyrimidine;3-tert-butylimidazo[1,2-b]pyridazine;5-tert-butylimidazo[2,1-b][1,3]thiazole;4-tert-butyl-1,2-oxazole;3-tert-butylpyrazolo[1,5-a]pyrimidine;ethane
PubChem CID160810738
Molecular FormulaC81H130N16O2S
Molecular Weight1392.11 g/mol
Exact Mass1391.03
IUPAC Name4-tert-butyl-2,1,3-benzoxadiazole;3-tert-butylimidazo[1,2-a]pyridine;3-tert-butylimidazo[1,2-a]pyrimidine;3-tert-butylimidazo[1,2-b]pyridazine;5-tert-butylimidazo[2,1-b][1,3]thiazole;4-tert-butyl-1,2-oxazole;3-tert-butylpyrazolo[1,5-a]pyrimidine;ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC(C)(C)c1cccc2nonc12.CC(C)(C)c1cnc2ccccn12.CC(C)(C)c1cnc2cccnn12.CC(C)(C)c1cnc2ncccn12.CC(C)(C)c1cnc2sccn12.CC(C)(C)c1cnn2cccnc12.CC(C)(C)c1cnoc1
InChIInChI=1S/C11H14N2.3C10H13N3.C10H12N2O.C9H12N2S.C7H11NO.7C2H6/c1-11(2,3)9-8-12-10-6-4-5-7-13(9)10;1-10(2,3)8-7-12-9-11-5-4-6-13(8)9;1-10(2,3)8-7-12-13-6-4-5-11-9(8)13;1-10(2,3)8-7-11-9-5-4-6-12-13(8)9;1-10(2,3)7-5-4-6-8-9(7)12-13-11-8;1-9(2,3)7-6-10-8-11(7)4-5-12-8;1-7(2,3)6-4-8-9-5-6;7*1-2/h4-8H,1-3H3;3*4-7H,1-3H3;4-6H,1-3H3;4-6H,1-3H3;4-5H,1-3H3;7*1-2H3
InChIKeySEHAOEKIYDSNJM-UHFFFAOYSA-N
XLogP23.08
TPSA190.12 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds
Heavy Atoms100
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001392.11
LogP ≤ 523.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze 4-tert-butyl-2,1,3-benzoxadiazole;3-tert-butylimidazo[1,2-a]pyridine;3-tert-butylimidazo[1,2-a]pyrimidine;3-tert-butylimidazo[1,2-b]pyridazine;5-tert-butylimidazo[2,1-b][1,3]thiazole;4-tert-butyl-1,2-oxazole;3-tert-butylpyrazolo[1,5-a]pyrimidine;ethane with MolForge

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Related Compounds

3-tert-butyl-3aH-pyrazolo[1,5-a]pyrimidin-8-ium;4-tert-butyl-2,1,3-benzoxadiazole;3-tert-butylimidazo[1,2-a]pyridine;3-tert-butylimidazo[1,2-a]pyrimidine;3-tert-butylimidazo[1,2-b]pyridazine;5-tert-butylimidazo[2,1-b][1,3]thiazole;4-tert-butyl-1,2-oxazole;ethane;methane
CID 157528385
4-Tert-butyl-2,1,3-benzoxadiazole;3-tert-butylimidazo[1,2-a]pyridine;3-tert-butylimidazo[1,2-a]pyrimidine;3-tert-butylimidazo[1,2-b]pyridazine;5-tert-butylimidazo[2,1-b][1,3]thiazole;3-tert-butylpyrazolo[1,5-a]pyrimidine;ethane
CID 157661353
4-Tert-butyl-2,1,3-benzoxadiazole;3-tert-butylimidazo[1,2-a]pyridine;3-tert-butylimidazo[1,2-a]pyrimidine;3-tert-butylimidazo[1,2-b]pyridazine;5-tert-butylimidazo[2,1-b][1,3]thiazole;4-tert-butyl-1,2-oxazole;3-tert-butylpyrazolo[1,5-a]pyrimidine;ethane;methane
CID 158917141
1-Tert-butyl-7-ethylindolizine;5-tert-butyl-1-(2-fluorophenyl)-3-methylpyrazole;5-tert-butyl-3-(2-methylcyclopropyl)-1,2-oxazole;5-tert-butyl-6-methylimidazo[2,1-b][1,3]thiazole;4-tert-butyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole;2-tert-butyl-4-methyl-[1,3]thiazolo[4,5-c]pyridine;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine;3-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-6-carbonitrile;methane
CID 159945748
imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;1H-imidazo[4,5-b]pyridine;imidazo[2,1-b][1,3,4]thiadiazole;imidazo[2,1-b][1,3]thiazole;imidazo[1,2-b][1,2,4]triazine;1H-imidazole;tetrakis(1H-indole);bis(3H-indole);1,2-oxazole;bis(1H-pyrazole);pyrazolo[1,5-a]pyrimidine;1H-pyrazolo[5,4-b]pyridine;pyridazine;tris(pyridine);3H-pyrrole;1H-pyrrolo[2,3-b]pyridine;5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 159947295
benzene;(2,2-dimethylpropane);imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;imidazo[1,2-c]pyrimidine;4H-imidazole;1H-indene;1,3,4-oxadiazole;1,2-oxazole;pyrazine;pyrazolo[1,5-a]pyridine;pyridazine;pyridine;1H-pyridin-2-one;pyrimidine;2H-pyrrole;3H-pyrrole;pyrrolo[1,2-c]pyrimidine;tetrazolo[1,5-a]pyridine;1,3-thiazole;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine
CID 159967874
Tert-butylbenzene;4-tert-butyl-2,1,3-benzoxadiazole;3-tert-butylimidazo[1,2-a]pyridine;3-tert-butylimidazo[1,2-a]pyrimidine;3-tert-butylimidazo[1,2-b]pyridazine;5-tert-butylimidazo[2,1-b][1,3]thiazole;4-tert-butyl-1,2-oxazole;3-tert-butylpyrazolo[1,5-a]pyrimidine;ethane
CID 160119668
tert-butylbenzene;5-tert-butylimidazo[1,5-a]pyridine;6-tert-butylimidazo[1,5-a]pyridine;7-tert-butylimidazo[1,5-a]pyridine;8-tert-butylimidazo[1,5-a]pyridine;2-tert-butyl-4H-imidazole;5-tert-butyl-4H-imidazole;2-tert-butyl-1,3,4-oxadiazole;5-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;3-tert-butyl-1H-pyridin-2-one;4-tert-butyl-1H-pyridin-2-one;5-tert-butylpyrimidine;3-tert-butyl-2H-pyrrole;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;8-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine
CID 160967343
imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;1H-imidazo[4,5-b]pyridine;imidazo[2,1-b][1,3,4]thiadiazole;imidazo[2,1-b][1,3]thiazole;imidazo[1,2-b][1,2,4]triazine;1H-imidazole;tetrakis(1H-indole);bis(3H-indole);1,2-oxazole;bis(1H-pyrazole);pyrazolo[1,5-a]pyrimidine;1H-pyrazolo[5,4-b]pyridine;pyridazine;tris(pyridine);3H-pyrrole;tris(1H-pyrrolo[2,3-b]pyridine);1H-pyrrolo[3,2-b]pyridine;bis(1H-pyrrolo[2,3-c]pyridine);bis(1H-pyrrolo[3,2-c]pyridine);5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 161192298
bis(1H-benzimidazole);imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;1H-imidazo[4,5-b]pyridine;imidazo[2,1-b][1,3,4]thiadiazole;imidazo[2,1-b][1,3]thiazole;imidazo[1,2-b][1,2,4]triazine;bis(1H-imidazole);tetrakis(1H-indole);1,2-oxazole;bis(1H-pyrazole);pyrazolo[1,5-a]pyrimidine;1H-pyrazolo[5,4-b]pyridine;pyridazine;tris(pyridine);1H-pyrrolo[2,3-b]pyridine;5,6,7,8-tetrahydroimidazo[1,2-b]pyridazine
CID 161410111
4-Tert-butyl-1,2-oxazole;3-tert-butylpyrazolo[1,5-a]pyridine;tris(4-tert-butylpyridine);4-tert-butylpyrimidine;4-tert-butylquinoline;4-tert-butylthieno[2,3-b]pyridine;7-tert-butylthieno[3,2-b]pyridine;methane
CID 161642100
bis(1H-benzimidazole);imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;1H-imidazo[4,5-b]pyridine;imidazo[2,1-b][1,3,4]thiadiazole;imidazo[2,1-b][1,3]thiazole;imidazo[1,2-b][1,2,4]triazine;bis(1H-imidazole);tetrakis(1H-indole);1,2-oxazole;bis(1H-pyrazole);pyrazolo[1,5-a]pyrimidine;1H-pyrazolo[5,4-b]pyridine;pyridazine;tris(pyridine);5,6,7,8-tetrahydroimidazo[1,2-b]pyridazine
CID 162002177

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2,1,3-benzoxadiazole;3-tert-butylimidazo[1,2-a]pyridine;3-tert-butylimidazo[1,2-a]pyrimidine;3-tert-butylimidazo[1,2-b]pyridazine;5-tert-butylimidazo[2,1-b][1,3]thiazole;4-tert-butyl-1,2-oxazole;3-tert-butylpyrazolo[1,5-a]pyrimidine;ethane?
The IUPAC name of 4-tert-butyl-2,1,3-benzoxadiazole;3-tert-butylimidazo[1,2-a]pyridine;3-tert-butylimidazo[1,2-a]pyrimidine;3-tert-butylimidazo[1,2-b]pyridazine;5-tert-butylimidazo[2,1-b][1,3]thiazole;4-tert-butyl-1,2-oxazole;3-tert-butylpyrazolo[1,5-a]pyrimidine;ethane (CID 160810738) is 4-tert-butyl-2,1,3-benzoxadiazole;3-tert-butylimidazo[1,2-a]pyridine;3-tert-butylimidazo[1,2-a]pyrimidine;3-tert-butylimidazo[1,2-b]pyridazine;5-tert-butylimidazo[2,1-b][1,3]thiazole;4-tert-butyl-1,2-oxazole;3-tert-butylpyrazolo[1,5-a]pyrimidine;ethane.
What is the SMILES notation for 4-tert-butyl-2,1,3-benzoxadiazole;3-tert-butylimidazo[1,2-a]pyridine;3-tert-butylimidazo[1,2-a]pyrimidine;3-tert-butylimidazo[1,2-b]pyridazine;5-tert-butylimidazo[2,1-b][1,3]thiazole;4-tert-butyl-1,2-oxazole;3-tert-butylpyrazolo[1,5-a]pyrimidine;ethane?
The canonical SMILES for 4-tert-butyl-2,1,3-benzoxadiazole;3-tert-butylimidazo[1,2-a]pyridine;3-tert-butylimidazo[1,2-a]pyrimidine;3-tert-butylimidazo[1,2-b]pyridazine;5-tert-butylimidazo[2,1-b][1,3]thiazole;4-tert-butyl-1,2-oxazole;3-tert-butylpyrazolo[1,5-a]pyrimidine;ethane is CC.CC.CC.CC.CC.CC.CC.CC(C)(C)c1cccc2nonc12.CC(C)(C)c1cnc2ccccn12.CC(C)(C)c1cnc2cccnn12.CC(C)(C)c1cnc2ncccn12.CC(C)(C)c1cnc2sccn12.CC(C)(C)c1cnn2cccnc12.CC(C)(C)c1cnoc1.
What is the InChIKey of 4-tert-butyl-2,1,3-benzoxadiazole;3-tert-butylimidazo[1,2-a]pyridine;3-tert-butylimidazo[1,2-a]pyrimidine;3-tert-butylimidazo[1,2-b]pyridazine;5-tert-butylimidazo[2,1-b][1,3]thiazole;4-tert-butyl-1,2-oxazole;3-tert-butylpyrazolo[1,5-a]pyrimidine;ethane?
The InChIKey is SEHAOEKIYDSNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2.3C10H13N3.C10H12N2O.C9H12N2S.C7H11NO.7C2H6/c1-11(2,3)9-8-12-10-6-4-5-7-13(9)10;1-10(2,3)8-7-12-9-11-5-4-6-13(8)9;1-10(2,3)8-7-12-13-6-4-5-11-9(8)13;1-10(2,3)8-7-11-9-5-4-6-12-13(8)9;1-10(2,3)7-5-4-6-8-9(7)12-13-11-8;1-9(2,3)7-6-10-8-11(7)4-5-12-8;1-7(2,3)6-4-8-9-5-6;7*1-2/h4-8H,1-3H3;3*4-7H,1-3H3;4-6H,1-3H3;4-6H,1-3H3;4-5H,1-3H3;7*1-2H3.
What are the key properties of 4-tert-butyl-2,1,3-benzoxadiazole;3-tert-butylimidazo[1,2-a]pyridine;3-tert-butylimidazo[1,2-a]pyrimidine;3-tert-butylimidazo[1,2-b]pyridazine;5-tert-butylimidazo[2,1-b][1,3]thiazole;4-tert-butyl-1,2-oxazole;3-tert-butylpyrazolo[1,5-a]pyrimidine;ethane?
4-tert-butyl-2,1,3-benzoxadiazole;3-tert-butylimidazo[1,2-a]pyridine;3-tert-butylimidazo[1,2-a]pyrimidine;3-tert-butylimidazo[1,2-b]pyridazine;5-tert-butylimidazo[2,1-b][1,3]thiazole;4-tert-butyl-1,2-oxazole;3-tert-butylpyrazolo[1,5-a]pyrimidine;ethane has a molecular weight of 1392.11 g/mol, XLogP of 23.08, 0 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2,1,3-benzoxadiazole;3-tert-butylimidazo[1,2-a]pyridine;3-tert-butylimidazo[1,2-a]pyrimidine;3-tert-butylimidazo[1,2-b]pyridazine;5-tert-butylimidazo[2,1-b][1,3]thiazole;4-tert-butyl-1,2-oxazole;3-tert-butylpyrazolo[1,5-a]pyrimidine;ethane is sourced from PubChem (CID 160810738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).