tert-butylbenzene;2-tert-butylcyclopenta-1,3-diene;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;bis(2-tert-butylpyridine);bis(3-tert-butylpyridine);2-tert-butylpyrimidine;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;4-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;4-tert-butyl-1,2-thiazole;5-tert-butyl-1,2-thiazole;1-tert-butyl-1,2,4-triazole;4-tert-butyl-2H-triazole;bis(5-tert-butyl-1H-1,2,4-triazole);1-propan-2-ylimidazole;3-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;3-propan-2-yl-1,2-thiazole;1-propan-2-yltriazole

C190H303N39O3S3 — CID 159825626

IUPACtert-butylbenzene;2-tert-butylcyclopenta-1,3-diene;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;bis(2-tert-butylpyridine);bis(3-tert-butylpyridine);2-tert-butylpyrimidine;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;4-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;4-tert-butyl-1,2-thiazole;5-tert-butyl-1,2-thiazole;1-tert-butyl-1,2,4-triazole;4-tert-butyl-2H-triazole;bis(5-tert-butyl-1H-1,2,4-triazole);1-propan-2-ylimidazole;3-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;3-propan-2-yl-1,2-thiazole;1-propan-2-yltriazole
SMILESCC(C)(C)C1=CCC=C1.CC(C)(C)C1=CCN=C1.CC(C)(C)C1=NCC=C1.CC(C)(C)c1ccc[nH]1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccn1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccno1.CC(C)(C)c1ccns1.CC(C)(C)c1cn[nH]n1.CC(C)(C)c1cnc[nH]1.CC(C)(C)c1cnoc1.CC(C)(C)c1cnsc1.CC(C)(C)c1ncc[nH]1.CC(C)(C)c1ncccn1.CC(C)(C)c1ncn[nH]1.CC(C)(C)c1ncn[nH]1.CC(C)(C)n1cccc1.CC(C)(C)n1cncn1.CC(C)c1ccon1.CC(C)c1ccsn1.CC(C)n1cccn1.CC(C)n1ccnc1.CC(C)n1ccnn1
InChIInChI=1S/C10H14.4C9H13N.C9H14.C8H12N2.4C8H13N.2C7H12N2.2C7H11NO.2C7H11NS.4C6H11N3.2C6H10N2.C6H9NO.C6H9NS.C5H9N3/c1-10(2,3)9-7-5-4-6-8-9;2*1-9(2,3)8-5-4-6-10-7-8;2*1-9(2,3)8-6-4-5-7-10-8;1-9(2,3)8-6-4-5-7-8;1-8(2,3)7-9-5-4-6-10-7;1-8(2,3)7-4-5-9-6-7;1-8(2,3)9-6-4-5-7-9;2*1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-4-5-8-9-6;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-4-5-8-9-6;1-6(2,3)9-5-7-4-8-9;2*1-6(2,3)5-7-4-8-9-5;1-6(2,3)5-4-7-9-8-5;1-6(2)8-4-3-7-5-8;1-6(2)8-5-3-4-7-8;2*1-5(2)6-3-4-8-7-6;1-5(2)8-4-3-6-7-8/h4-8H,1-3H3;4*4-7H,1-3H3;4,6-7H,5H2,1-3H3;4-6H,1-3H3;4,6H,5H2,1-3H3;4-7H,1-3H3;4-5H,6H2,1-3H3;4-6,9H,1-3H3;2*4-5H,1-3H3,(H,8,9);5*4-5H,1-3H3;3*4H,1-3H3,(H,7,8,9);2*3-6H,1-2H3;3*3-5H,1-2H3
InChIKeyNMUJAIQTMHRSFR-UHFFFAOYSA-N
MW3277.98 g/mol
LogP50.27
Rot. Bonds5

About tert-butylbenzene;2-tert-butylcyclopenta-1,3-diene;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;bis(2-tert-butylpyridine);bis(3-tert-butylpyridine);2-tert-butylpyrimidine;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;4-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;4-tert-butyl-1,2-thiazole;5-tert-butyl-1,2-thiazole;1-tert-butyl-1,2,4-triazole;4-tert-butyl-2H-triazole;bis(5-tert-butyl-1H-1,2,4-triazole);1-propan-2-ylimidazole;3-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;3-propan-2-yl-1,2-thiazole;1-propan-2-yltriazole

tert-butylbenzene;2-tert-butylcyclopenta-1,3-diene;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;bis(2-tert-butylpyridine);bis(3-tert-butylpyridine);2-tert-butylpyrimidine;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;4-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;4-tert-butyl-1,2-thiazole;5-tert-butyl-1,2-thiazole;1-tert-butyl-1,2,4-triazole;4-tert-butyl-2H-triazole;bis(5-tert-butyl-1H-1,2,4-triazole);1-propan-2-ylimidazole;3-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;3-propan-2-yl-1,2-thiazole;1-propan-2-yltriazole (PubChem CID 159825626) has the molecular formula C190H303N39O3S3 and a molecular weight of 3277.98 g/mol. Its IUPAC name is tert-butylbenzene;2-tert-butylcyclopenta-1,3-diene;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;bis(2-tert-butylpyridine);bis(3-tert-butylpyridine);2-tert-butylpyrimidine;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;4-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;4-tert-butyl-1,2-thiazole;5-tert-butyl-1,2-thiazole;1-tert-butyl-1,2,4-triazole;4-tert-butyl-2H-triazole;bis(5-tert-butyl-1H-1,2,4-triazole);1-propan-2-ylimidazole;3-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;3-propan-2-yl-1,2-thiazole;1-propan-2-yltriazole.

Molecular Properties

Compound Nametert-butylbenzene;2-tert-butylcyclopenta-1,3-diene;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;bis(2-tert-butylpyridine);bis(3-tert-butylpyridine);2-tert-butylpyrimidine;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;4-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;4-tert-butyl-1,2-thiazole;5-tert-butyl-1,2-thiazole;1-tert-butyl-1,2,4-triazole;4-tert-butyl-2H-triazole;bis(5-tert-butyl-1H-1,2,4-triazole);1-propan-2-ylimidazole;3-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;3-propan-2-yl-1,2-thiazole;1-propan-2-yltriazole
PubChem CID159825626
Molecular FormulaC190H303N39O3S3
Molecular Weight3277.98 g/mol
Exact Mass3275.39
IUPAC Nametert-butylbenzene;2-tert-butylcyclopenta-1,3-diene;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;bis(2-tert-butylpyridine);bis(3-tert-butylpyridine);2-tert-butylpyrimidine;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;4-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;4-tert-butyl-1,2-thiazole;5-tert-butyl-1,2-thiazole;1-tert-butyl-1,2,4-triazole;4-tert-butyl-2H-triazole;bis(5-tert-butyl-1H-1,2,4-triazole);1-propan-2-ylimidazole;3-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;3-propan-2-yl-1,2-thiazole;1-propan-2-yltriazole
SMILESCC(C)(C)C1=CCC=C1.CC(C)(C)C1=CCN=C1.CC(C)(C)C1=NCC=C1.CC(C)(C)c1ccc[nH]1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccn1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccno1.CC(C)(C)c1ccns1.CC(C)(C)c1cn[nH]n1.CC(C)(C)c1cnc[nH]1.CC(C)(C)c1cnoc1.CC(C)(C)c1cnsc1.CC(C)(C)c1ncc[nH]1.CC(C)(C)c1ncccn1.CC(C)(C)c1ncn[nH]1.CC(C)(C)c1ncn[nH]1.CC(C)(C)n1cccc1.CC(C)(C)n1cncn1.CC(C)c1ccon1.CC(C)c1ccsn1.CC(C)n1cccn1.CC(C)n1ccnc1.CC(C)n1ccnn1
InChIInChI=1S/C10H14.4C9H13N.C9H14.C8H12N2.4C8H13N.2C7H12N2.2C7H11NO.2C7H11NS.4C6H11N3.2C6H10N2.C6H9NO.C6H9NS.C5H9N3/c1-10(2,3)9-7-5-4-6-8-9;2*1-9(2,3)8-5-4-6-10-7-8;2*1-9(2,3)8-6-4-5-7-10-8;1-9(2,3)8-6-4-5-7-8;1-8(2,3)7-9-5-4-6-10-7;1-8(2,3)7-4-5-9-6-7;1-8(2,3)9-6-4-5-7-9;2*1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-4-5-8-9-6;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-4-5-8-9-6;1-6(2,3)9-5-7-4-8-9;2*1-6(2,3)5-7-4-8-9-5;1-6(2,3)5-4-7-9-8-5;1-6(2)8-4-3-7-5-8;1-6(2)8-5-3-4-7-8;2*1-5(2)6-3-4-8-7-6;1-5(2)8-4-3-6-7-8/h4-8H,1-3H3;4*4-7H,1-3H3;4,6-7H,5H2,1-3H3;4-6H,1-3H3;4,6H,5H2,1-3H3;4-7H,1-3H3;4-5H,6H2,1-3H3;4-6,9H,1-3H3;2*4-5H,1-3H3,(H,8,9);5*4-5H,1-3H3;3*4H,1-3H3,(H,7,8,9);2*3-6H,1-2H3;3*3-5H,1-2H3
InChIKeyNMUJAIQTMHRSFR-UHFFFAOYSA-N
XLogP50.27
TPSA518.67 Ų
H-Bond Donors6
H-Bond Acceptors39
Rotatable Bonds5
Heavy Atoms235
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003277.98
LogP ≤ 550.27
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1039

Analyze tert-butylbenzene;2-tert-butylcyclopenta-1,3-diene;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;bis(2-tert-butylpyridine);bis(3-tert-butylpyridine);2-tert-butylpyrimidine;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;4-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;4-tert-butyl-1,2-thiazole;5-tert-butyl-1,2-thiazole;1-tert-butyl-1,2,4-triazole;4-tert-butyl-2H-triazole;bis(5-tert-butyl-1H-1,2,4-triazole);1-propan-2-ylimidazole;3-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;3-propan-2-yl-1,2-thiazole;1-propan-2-yltriazole with MolForge

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Related Compounds

3,5-diethyl-4-propan-2-yl-1H-pyrazole;2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;3,5-dimethyl-4-propan-2-ylpyridine;4,6-dimethyl-5-propan-2-ylpyrimidine;1,4-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)imidazole;4,5-di(propan-2-yl)-1H-imidazole;1,4-di(propan-2-yl)pyrazole;4,5-di(propan-2-yl)-1H-pyrazole;2,3-di(propan-2-yl)pyridine;3,4-di(propan-2-yl)pyridine;3-methylbutan-2-ylbenzene;2-methyl-3-propan-2-ylpyrazine;2-methylpropylbenzene;4-(2-methylpropyl)-1,2-oxazole;3-propan-2-yl-2-pyrrolidin-1-ylpyridine
CID 167636690
3-[6-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3-pyridin-2-yl-4-quinolin-2-yl-4-thiophen-2-yl-5-(2H-triazol-4-yl)cyclohexa-1,5-dien-1-yl]-1,2-oxazole
CID 141028379
3-[6-(1H-imidazol-2-yl)-3-(1H-pyrazol-5-yl)-4-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-4-(1,2-thiazol-3-yl)-5-(2H-triazol-4-yl)cyclohexa-1,5-dien-1-yl]-1,2-oxazole
CID 141064478
3-[2-(1H-imidazol-2-yl)-2-pyrazin-2-yl-1-(1H-pyrazol-5-yl)-4-pyridin-2-yl-3-(1H-pyrrol-2-yl)-6-(1,2-thiazol-3-yl)-4H-pyrimidin-5-yl]-1,2-oxazole
CID 141079057
3,5-dimethyl-4-(2-methylpropyl)-1,2-oxazole;1-(3-methylbutyl)pyrrole;1-methyl-4-(2-methylpropyl)imidazole;2-methyl-4-(2-methylpropyl)thiadiazol-2-ium;5-(2-methylpropyl)-1H-imidazole;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine
CID 157090308
2-propan-2-ylfuran;3-propan-2-ylfuran;1-propan-2-ylimidazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;bis(2-propan-2-ylpyrazine);1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-3H-pyrrole;4-propan-2-yl-3H-pyrrole;2-propan-2-yltetrazole;5-propan-2-yl-2H-tetrazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole
CID 157292200
1-Tert-butyl-2-propan-2-ylbenzene;2-tert-butyl-3-propan-2-ylpyrazine;3-tert-butyl-4-propan-2-ylpyridine;4-tert-butyl-3-propan-2-ylpyridine;3,4-ditert-butyl-1,2-oxazole;3,4-ditert-butylpyridazine;4,5-ditert-butylpyridazine;bis(2,3-ditert-butylpyridine);4,5-ditert-butylpyrimidine;3,4-ditert-butyl-1,2-thiazole;4,5-ditert-butyl-1,2-thiazole;2,3-ditert-butylthiophene;3,4-ditert-butylthiophene
CID 157426196
benzene;ethane;1H-imidazole;nonakis(2-methylpropane);1,2-oxazole;1-propan-2-ylpyrazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole;pyrazine;pyridazine;pyridine;pyrimidine;1,2-thiazole;1,2,4-triazine
CID 157431179
benzene;ethane;1H-imidazole;2H-imidazole;dodecakis(2-methylpropane);1,2-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1,2-thiazole;1,2,4-triazine;1H-1,2,4-triazole
CID 157447381
tert-butylbenzene;tert-butylcyclohexane;tert-butylcyclopentane;1-tert-butylimidazole;4-tert-butylmorpholine;4-tert-butyl-1,2-oxazole;1-tert-butylpiperazine;1-tert-butylpiperidine;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;3-tert-butylpyridazine;2-tert-butylpyridine;5-tert-butylpyrimidine;1-tert-butylpyrrolidine;1-tert-butyl-2,3,4,7-tetrahydropyrrolo[3,4-b]pyridine;4-tert-butylthiadiazole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,2-thiazole;5-tert-butyl-1,2-thiazole;4-tert-butylthiomorpholine;2-tert-butyltriazole;ethane;methane;7-methyl-1H-isoindole;3-methylpyridine;4-methylpyridine
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1-tert-butyl-6,7-dihydro-4H-pyrano[3,4-d]pyrazole;4-tert-butyl-2H-pyrrole;2-tert-butyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine;3-tert-butyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine;5-tert-butyl-1H-1,2,4-triazole;2-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole;3-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine
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4-tert-butyl-5-propan-2-yl-1,2-oxazole;4-tert-butyl-5-propan-2-yl-1H-pyrazole;3-tert-butyl-2-propan-2-yl-1H-pyrrole;4-tert-butyl-3-propan-2-yl-2H-pyrrole;5-tert-butyl-4-propan-2-yl-3H-pyrrole;4,5-ditert-butyl-1H-imidazole;2,3-di(propan-2-yl)pyrazine;3,4-di(propan-2-yl)pyridazine;4,5-di(propan-2-yl)pyridazine;bis(2,3-di(propan-2-yl)pyridine);bis(3,4-di(propan-2-yl)pyridine);bis(4,5-di(propan-2-yl)pyrimidine);bis(4,5-di(propan-2-yl)triazine);bis(5,6-di(propan-2-yl)-1,2,4-triazine);ethane
CID 157584341

Frequently Asked Questions

What is the IUPAC name of tert-butylbenzene;2-tert-butylcyclopenta-1,3-diene;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;bis(2-tert-butylpyridine);bis(3-tert-butylpyridine);2-tert-butylpyrimidine;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;4-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;4-tert-butyl-1,2-thiazole;5-tert-butyl-1,2-thiazole;1-tert-butyl-1,2,4-triazole;4-tert-butyl-2H-triazole;bis(5-tert-butyl-1H-1,2,4-triazole);1-propan-2-ylimidazole;3-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;3-propan-2-yl-1,2-thiazole;1-propan-2-yltriazole?
The IUPAC name of tert-butylbenzene;2-tert-butylcyclopenta-1,3-diene;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;bis(2-tert-butylpyridine);bis(3-tert-butylpyridine);2-tert-butylpyrimidine;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;4-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;4-tert-butyl-1,2-thiazole;5-tert-butyl-1,2-thiazole;1-tert-butyl-1,2,4-triazole;4-tert-butyl-2H-triazole;bis(5-tert-butyl-1H-1,2,4-triazole);1-propan-2-ylimidazole;3-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;3-propan-2-yl-1,2-thiazole;1-propan-2-yltriazole (CID 159825626) is tert-butylbenzene;2-tert-butylcyclopenta-1,3-diene;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;bis(2-tert-butylpyridine);bis(3-tert-butylpyridine);2-tert-butylpyrimidine;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;4-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;4-tert-butyl-1,2-thiazole;5-tert-butyl-1,2-thiazole;1-tert-butyl-1,2,4-triazole;4-tert-butyl-2H-triazole;bis(5-tert-butyl-1H-1,2,4-triazole);1-propan-2-ylimidazole;3-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;3-propan-2-yl-1,2-thiazole;1-propan-2-yltriazole.
What is the SMILES notation for tert-butylbenzene;2-tert-butylcyclopenta-1,3-diene;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;bis(2-tert-butylpyridine);bis(3-tert-butylpyridine);2-tert-butylpyrimidine;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;4-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;4-tert-butyl-1,2-thiazole;5-tert-butyl-1,2-thiazole;1-tert-butyl-1,2,4-triazole;4-tert-butyl-2H-triazole;bis(5-tert-butyl-1H-1,2,4-triazole);1-propan-2-ylimidazole;3-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;3-propan-2-yl-1,2-thiazole;1-propan-2-yltriazole?
The canonical SMILES for tert-butylbenzene;2-tert-butylcyclopenta-1,3-diene;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;bis(2-tert-butylpyridine);bis(3-tert-butylpyridine);2-tert-butylpyrimidine;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;4-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;4-tert-butyl-1,2-thiazole;5-tert-butyl-1,2-thiazole;1-tert-butyl-1,2,4-triazole;4-tert-butyl-2H-triazole;bis(5-tert-butyl-1H-1,2,4-triazole);1-propan-2-ylimidazole;3-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;3-propan-2-yl-1,2-thiazole;1-propan-2-yltriazole is CC(C)(C)C1=CCC=C1.CC(C)(C)C1=CCN=C1.CC(C)(C)C1=NCC=C1.CC(C)(C)c1ccc[nH]1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccn1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccno1.CC(C)(C)c1ccns1.CC(C)(C)c1cn[nH]n1.CC(C)(C)c1cnc[nH]1.CC(C)(C)c1cnoc1.CC(C)(C)c1cnsc1.CC(C)(C)c1ncc[nH]1.CC(C)(C)c1ncccn1.CC(C)(C)c1ncn[nH]1.CC(C)(C)c1ncn[nH]1.CC(C)(C)n1cccc1.CC(C)(C)n1cncn1.CC(C)c1ccon1.CC(C)c1ccsn1.CC(C)n1cccn1.CC(C)n1ccnc1.CC(C)n1ccnn1.
What is the InChIKey of tert-butylbenzene;2-tert-butylcyclopenta-1,3-diene;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;bis(2-tert-butylpyridine);bis(3-tert-butylpyridine);2-tert-butylpyrimidine;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;4-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;4-tert-butyl-1,2-thiazole;5-tert-butyl-1,2-thiazole;1-tert-butyl-1,2,4-triazole;4-tert-butyl-2H-triazole;bis(5-tert-butyl-1H-1,2,4-triazole);1-propan-2-ylimidazole;3-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;3-propan-2-yl-1,2-thiazole;1-propan-2-yltriazole?
The InChIKey is NMUJAIQTMHRSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14.4C9H13N.C9H14.C8H12N2.4C8H13N.2C7H12N2.2C7H11NO.2C7H11NS.4C6H11N3.2C6H10N2.C6H9NO.C6H9NS.C5H9N3/c1-10(2,3)9-7-5-4-6-8-9;2*1-9(2,3)8-5-4-6-10-7-8;2*1-9(2,3)8-6-4-5-7-10-8;1-9(2,3)8-6-4-5-7-8;1-8(2,3)7-9-5-4-6-10-7;1-8(2,3)7-4-5-9-6-7;1-8(2,3)9-6-4-5-7-9;2*1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-4-5-8-9-6;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-4-5-8-9-6;1-6(2,3)9-5-7-4-8-9;2*1-6(2,3)5-7-4-8-9-5;1-6(2,3)5-4-7-9-8-5;1-6(2)8-4-3-7-5-8;1-6(2)8-5-3-4-7-8;2*1-5(2)6-3-4-8-7-6;1-5(2)8-4-3-6-7-8/h4-8H,1-3H3;4*4-7H,1-3H3;4,6-7H,5H2,1-3H3;4-6H,1-3H3;4,6H,5H2,1-3H3;4-7H,1-3H3;4-5H,6H2,1-3H3;4-6,9H,1-3H3;2*4-5H,1-3H3,(H,8,9);5*4-5H,1-3H3;3*4H,1-3H3,(H,7,8,9);2*3-6H,1-2H3;3*3-5H,1-2H3.
What are the key properties of tert-butylbenzene;2-tert-butylcyclopenta-1,3-diene;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;bis(2-tert-butylpyridine);bis(3-tert-butylpyridine);2-tert-butylpyrimidine;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;4-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;4-tert-butyl-1,2-thiazole;5-tert-butyl-1,2-thiazole;1-tert-butyl-1,2,4-triazole;4-tert-butyl-2H-triazole;bis(5-tert-butyl-1H-1,2,4-triazole);1-propan-2-ylimidazole;3-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;3-propan-2-yl-1,2-thiazole;1-propan-2-yltriazole?
tert-butylbenzene;2-tert-butylcyclopenta-1,3-diene;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;bis(2-tert-butylpyridine);bis(3-tert-butylpyridine);2-tert-butylpyrimidine;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;4-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;4-tert-butyl-1,2-thiazole;5-tert-butyl-1,2-thiazole;1-tert-butyl-1,2,4-triazole;4-tert-butyl-2H-triazole;bis(5-tert-butyl-1H-1,2,4-triazole);1-propan-2-ylimidazole;3-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;3-propan-2-yl-1,2-thiazole;1-propan-2-yltriazole has a molecular weight of 3277.98 g/mol, XLogP of 50.27, 5 rotatable bonds, 6 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylbenzene;2-tert-butylcyclopenta-1,3-diene;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;bis(2-tert-butylpyridine);bis(3-tert-butylpyridine);2-tert-butylpyrimidine;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;4-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;4-tert-butyl-1,2-thiazole;5-tert-butyl-1,2-thiazole;1-tert-butyl-1,2,4-triazole;4-tert-butyl-2H-triazole;bis(5-tert-butyl-1H-1,2,4-triazole);1-propan-2-ylimidazole;3-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;3-propan-2-yl-1,2-thiazole;1-propan-2-yltriazole is sourced from PubChem (CID 159825626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).