2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;5-propan-2-yl-2H-tetrazole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1H-1,2,4-triazole

C57H91N17O3S3 — CID 161179457

IUPAC2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;5-propan-2-yl-2H-tetrazole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1H-1,2,4-triazole
SMILESCC(C)c1ccn[nH]1.CC(C)c1ccon1.CC(C)c1ccsn1.CC(C)c1cocn1.CC(C)c1cscn1.CC(C)c1ncc[nH]1.CC(C)c1ncco1.CC(C)c1nccs1.CC(C)c1ncn[nH]1.CC(C)c1nn[nH]n1
InChIInChI=1S/2C6H10N2.3C6H9NO.3C6H9NS.C5H9N3.C4H8N4/c1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-7-8-6;1-5(2)6-3-8-4-7-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-8-4-7-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-8-7-6;1-4(2)5-6-3-7-8-5;1-3(2)4-5-7-8-6-4/h2*3-5H,1-2H3,(H,7,8);6*3-5H,1-2H3;3-4H,1-2H3,(H,6,7,8);3H,1-2H3,(H,5,6,7,8)
InChIKeyUSGDFQKARAXVHK-UHFFFAOYSA-N
MW1158.67 g/mol
LogP16.51
Rot. Bonds10

About 2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;5-propan-2-yl-2H-tetrazole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1H-1,2,4-triazole

2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;5-propan-2-yl-2H-tetrazole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1H-1,2,4-triazole (PubChem CID 161179457) has the molecular formula C57H91N17O3S3 and a molecular weight of 1158.67 g/mol. Its IUPAC name is 2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;5-propan-2-yl-2H-tetrazole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1H-1,2,4-triazole.

Molecular Properties

Compound Name2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;5-propan-2-yl-2H-tetrazole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1H-1,2,4-triazole
PubChem CID161179457
Molecular FormulaC57H91N17O3S3
Molecular Weight1158.67 g/mol
Exact Mass1157.67
IUPAC Name2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;5-propan-2-yl-2H-tetrazole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1H-1,2,4-triazole
SMILESCC(C)c1ccn[nH]1.CC(C)c1ccon1.CC(C)c1ccsn1.CC(C)c1cocn1.CC(C)c1cscn1.CC(C)c1ncc[nH]1.CC(C)c1ncco1.CC(C)c1nccs1.CC(C)c1ncn[nH]1.CC(C)c1nn[nH]n1
InChIInChI=1S/2C6H10N2.3C6H9NO.3C6H9NS.C5H9N3.C4H8N4/c1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-7-8-6;1-5(2)6-3-8-4-7-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-8-4-7-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-8-7-6;1-4(2)5-6-3-7-8-5;1-3(2)4-5-7-8-6-4/h2*3-5H,1-2H3,(H,7,8);6*3-5H,1-2H3;3-4H,1-2H3,(H,6,7,8);3H,1-2H3,(H,5,6,7,8)
InChIKeyUSGDFQKARAXVHK-UHFFFAOYSA-N
XLogP16.51
TPSA270.15 Ų
H-Bond Donors4
H-Bond Acceptors19
Rotatable Bonds10
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001158.67
LogP ≤ 516.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1019

Analyze 2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;5-propan-2-yl-2H-tetrazole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1H-1,2,4-triazole with MolForge

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Related Compounds

4-(1,2-thiazol-3-yl)-3-[5-[2-[2-[2-(thiolan-2-yl)-1,3-oxazol-4-yl]-1,3-thiazol-4-yl]-1H-imidazol-5-yl]-1H-pyrazol-4-yl]-1,2-oxazole
CID 137076653
2-[5-[1-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-4-(1H-pyrazol-5-yl)-3-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)tetrazolidin-5-yl]-2H-triazol-4-yl]-1,3-oxazole
CID 140976584
2-[5-(1H-imidazol-2-yl)-3-(1,2-oxazol-3-yl)-2-(1H-pyrazol-5-yl)-4-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)-2H-pyridin-6-yl]-1,3-oxazole
CID 141088926
2-[3-(1H-imidazol-2-yl)-6-(1,2-oxazol-3-yl)-2-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-1-pyridinyl]-1,3-oxazole
CID 141099595
4-[4-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-3-(1,3-oxazol-2-yl)-5-(1H-pyrazol-5-yl)-2-(1,3-thiazol-2-yl)triazolidin-1-yl]oxadiazole
CID 141104599
2-[5-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-4-(1H-pyrazol-5-yl)-2-(1,2-thiazol-3-yl)-3-(1,3-thiazol-2-yl)triazolidin-1-yl]-1,3-oxazole
CID 141362999
2-[5-(1H-imidazol-2-yl)-2-(1,2-oxazol-3-yl)-5-(1H-pyrazol-5-yl)-4-(1,2-thiazol-3-yl)-3-(1,3-thiazol-2-yl)triazolidin-1-yl]-1,3-oxazole
CID 141412474
2-tert-butylfuran;3-tert-butylfuran;1-tert-butylimidazole;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;3-tert-butyl-1H-pyrrole;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2-thiazole;4-tert-butyl-1,2-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene;1-tert-butyl-1,2,4-triazole;5-tert-butyl-1H-1,2,4-triazole
CID 157077930
2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole
CID 157078364
bis(4,5-dimethyloxadiazole);1,3-dimethylpyrrole;4,5-dimethyl-2H-triazole;ethane;methane;2-methylfuran;3-methylfuran;2-methyl-1H-imidazole;5-methyl-1H-imidazole;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;2-methyl-1H-pyrrole;2-methyl-1,3,4-thiadiazole;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;5-methylthiadiazole;5-methyl-1,2,4-thiadiazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene
CID 157089703
1,2-dimethylimidazole;1,5-dimethylimidazole;bis(4,5-dimethyl-1H-imidazole);bis(3,4-dimethyl-1,2-oxazole);bis(4,5-dimethyl-1,3-oxazole);bis(1,5-dimethylpyrazole);bis(4,5-dimethyl-1H-pyrazole);1,5-dimethyltetrazole;bis(3,4-dimethyl-1,2-thiazole);bis(4,5-dimethyl-1,3-thiazole);1,5-dimethyltriazole;1,5-dimethyl-1,2,4-triazole;3,4-dimethyl-1,2,4-triazole;ethane
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2-chloro-5-(2,2-dimethylpropyl)-1,3-thiazole;3-(2,2-dimethylpropyl)-1,5-dimethylpyrazole;2-(2,2-dimethylpropyl)-5-methyl-1,3,4-oxadiazole;3-(2,2-dimethylpropyl)-5-methyl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-5-methyl-1,2-oxazole;3-(2,2-dimethylpropyl)-1-methylpyrazole;bis(3-(2,2-dimethylpropyl)-5-methyl-1H-pyrazole);bis(5-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole);3-(2,2-dimethylpropyl)-5-methyl-1H-1,2,4-triazole;2-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-(2,2-dimethylpropyl)-1,3-oxazole;bis(4-(2,2-dimethylpropyl)-1,3-oxazole);5-(2,2-dimethylpropyl)-2-propan-2-yl-1,3-thiazole;5-(2,2-dimethylpropyl)-1H-pyrazole;2-(2,2-dimethylpropyl)-1,3-thiazole;5-(2,2-dimethylpropyl)-1,3-thiazole
CID 157121208

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;5-propan-2-yl-2H-tetrazole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1H-1,2,4-triazole?
The IUPAC name of 2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;5-propan-2-yl-2H-tetrazole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1H-1,2,4-triazole (CID 161179457) is 2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;5-propan-2-yl-2H-tetrazole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1H-1,2,4-triazole.
What is the SMILES notation for 2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;5-propan-2-yl-2H-tetrazole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1H-1,2,4-triazole?
The canonical SMILES for 2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;5-propan-2-yl-2H-tetrazole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1H-1,2,4-triazole is CC(C)c1ccn[nH]1.CC(C)c1ccon1.CC(C)c1ccsn1.CC(C)c1cocn1.CC(C)c1cscn1.CC(C)c1ncc[nH]1.CC(C)c1ncco1.CC(C)c1nccs1.CC(C)c1ncn[nH]1.CC(C)c1nn[nH]n1.
What is the InChIKey of 2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;5-propan-2-yl-2H-tetrazole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1H-1,2,4-triazole?
The InChIKey is USGDFQKARAXVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H10N2.3C6H9NO.3C6H9NS.C5H9N3.C4H8N4/c1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-7-8-6;1-5(2)6-3-8-4-7-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-8-4-7-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-8-7-6;1-4(2)5-6-3-7-8-5;1-3(2)4-5-7-8-6-4/h2*3-5H,1-2H3,(H,7,8);6*3-5H,1-2H3;3-4H,1-2H3,(H,6,7,8);3H,1-2H3,(H,5,6,7,8).
What are the key properties of 2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;5-propan-2-yl-2H-tetrazole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1H-1,2,4-triazole?
2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;5-propan-2-yl-2H-tetrazole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1H-1,2,4-triazole has a molecular weight of 1158.67 g/mol, XLogP of 16.51, 10 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;5-propan-2-yl-2H-tetrazole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1H-1,2,4-triazole is sourced from PubChem (CID 161179457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).