2-tert-butyl-4H-imidazole;5-tert-butyl-4H-imidazole;3-tert-butyl-1,2,4-oxadiazole;4-tert-butyloxadiazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;3-tert-butyl-4H-pyrazole;5-tert-butyl-2H-pyrrole;5-tert-butyl-2H-tetrazole;3-tert-butyl-1,2,4-thiadiazole;4-tert-butylthiadiazole;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-3H-1,2,4-triazole;5-tert-butyl-4H-triazole;ethane;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,5-triazine;6-propan-2-yl-1,2,4-triazine

C198H383N45O5S5 — CID 158057612

IUPAC2-tert-butyl-4H-imidazole;5-tert-butyl-4H-imidazole;3-tert-butyl-1,2,4-oxadiazole;4-tert-butyloxadiazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;3-tert-butyl-4H-pyrazole;5-tert-butyl-2H-pyrrole;5-tert-butyl-2H-tetrazole;3-tert-butyl-1,2,4-thiadiazole;4-tert-butylthiadiazole;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-3H-1,2,4-triazole;5-tert-butyl-4H-triazole;ethane;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,5-triazine;6-propan-2-yl-1,2,4-triazine
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)C1=NC=NC1.CC(C)(C)C1=NCC=C1.CC(C)(C)C1=NCC=N1.CC(C)(C)C1=NCN=N1.CC(C)(C)C1=NN=CC1.CC(C)(C)C1=NN=NC1.CC(C)(C)c1ccon1.CC(C)(C)c1ccsn1.CC(C)(C)c1cocn1.CC(C)(C)c1conn1.CC(C)(C)c1cscn1.CC(C)(C)c1csnn1.CC(C)(C)c1ncco1.CC(C)(C)c1nccs1.CC(C)(C)c1ncon1.CC(C)(C)c1ncsn1.CC(C)(C)c1nn[nH]n1.CC(C)c1cccnn1.CC(C)c1ccncn1.CC(C)c1cnccn1.CC(C)c1cncnn1.CC(C)c1ncccn1.CC(C)c1ncncn1
InChIInChI=1S/C8H13N.3C7H12N2.4C7H10N2.3C7H11NO.3C7H11NS.2C6H11N3.2C6H9N3.2C6H10N2O.2C6H10N2S.C5H10N4.23C2H6/c1-8(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)6-4-5-8-9-6;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-9-7;1-6(2)7-8-4-3-5-9-7;1-6(2)7-4-3-5-8-9-7;1-7(2,3)6-4-9-5-8-6;1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-5-9-8-6;1-7(2,3)6-4-9-5-8-6;1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-5-9-8-6;1-6(2,3)5-7-4-8-9-5;1-6(2,3)5-4-7-9-8-5;1-5(2)6-8-3-7-4-9-6;1-5(2)6-3-7-4-8-9-6;1-6(2,3)5-7-4-9-8-5;1-6(2,3)5-4-9-8-7-5;1-6(2,3)5-7-4-9-8-5;1-6(2,3)5-4-9-8-7-5;1-5(2,3)4-6-8-9-7-4;23*1-2/h4-5H,6H2,1-3H3;5H,4H2,1-3H3;4H,5H2,1-3H3;5H,4H2,1-3H3;4*3-6H,1-2H3;6*4-5H,1-3H3;2*4H2,1-3H3;2*3-5H,1-2H3;4*4H,1-3H3;1-3H3,(H,6,7,8,9);23*1-2H3
InChIKeyFKGFBWOWCXHSOD-UHFFFAOYSA-N
MW3634.89 g/mol
LogP62.78
Rot. Bonds6

About 2-tert-butyl-4H-imidazole;5-tert-butyl-4H-imidazole;3-tert-butyl-1,2,4-oxadiazole;4-tert-butyloxadiazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;3-tert-butyl-4H-pyrazole;5-tert-butyl-2H-pyrrole;5-tert-butyl-2H-tetrazole;3-tert-butyl-1,2,4-thiadiazole;4-tert-butylthiadiazole;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-3H-1,2,4-triazole;5-tert-butyl-4H-triazole;ethane;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,5-triazine;6-propan-2-yl-1,2,4-triazine

2-tert-butyl-4H-imidazole;5-tert-butyl-4H-imidazole;3-tert-butyl-1,2,4-oxadiazole;4-tert-butyloxadiazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;3-tert-butyl-4H-pyrazole;5-tert-butyl-2H-pyrrole;5-tert-butyl-2H-tetrazole;3-tert-butyl-1,2,4-thiadiazole;4-tert-butylthiadiazole;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-3H-1,2,4-triazole;5-tert-butyl-4H-triazole;ethane;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,5-triazine;6-propan-2-yl-1,2,4-triazine (PubChem CID 158057612) has the molecular formula C198H383N45O5S5 and a molecular weight of 3634.89 g/mol. Its IUPAC name is 2-tert-butyl-4H-imidazole;5-tert-butyl-4H-imidazole;3-tert-butyl-1,2,4-oxadiazole;4-tert-butyloxadiazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;3-tert-butyl-4H-pyrazole;5-tert-butyl-2H-pyrrole;5-tert-butyl-2H-tetrazole;3-tert-butyl-1,2,4-thiadiazole;4-tert-butylthiadiazole;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-3H-1,2,4-triazole;5-tert-butyl-4H-triazole;ethane;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,5-triazine;6-propan-2-yl-1,2,4-triazine.

Molecular Properties

Compound Name2-tert-butyl-4H-imidazole;5-tert-butyl-4H-imidazole;3-tert-butyl-1,2,4-oxadiazole;4-tert-butyloxadiazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;3-tert-butyl-4H-pyrazole;5-tert-butyl-2H-pyrrole;5-tert-butyl-2H-tetrazole;3-tert-butyl-1,2,4-thiadiazole;4-tert-butylthiadiazole;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-3H-1,2,4-triazole;5-tert-butyl-4H-triazole;ethane;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,5-triazine;6-propan-2-yl-1,2,4-triazine
PubChem CID158057612
Molecular FormulaC198H383N45O5S5
Molecular Weight3634.89 g/mol
Exact Mass3631.97
IUPAC Name2-tert-butyl-4H-imidazole;5-tert-butyl-4H-imidazole;3-tert-butyl-1,2,4-oxadiazole;4-tert-butyloxadiazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;3-tert-butyl-4H-pyrazole;5-tert-butyl-2H-pyrrole;5-tert-butyl-2H-tetrazole;3-tert-butyl-1,2,4-thiadiazole;4-tert-butylthiadiazole;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-3H-1,2,4-triazole;5-tert-butyl-4H-triazole;ethane;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,5-triazine;6-propan-2-yl-1,2,4-triazine
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)C1=NC=NC1.CC(C)(C)C1=NCC=C1.CC(C)(C)C1=NCC=N1.CC(C)(C)C1=NCN=N1.CC(C)(C)C1=NN=CC1.CC(C)(C)C1=NN=NC1.CC(C)(C)c1ccon1.CC(C)(C)c1ccsn1.CC(C)(C)c1cocn1.CC(C)(C)c1conn1.CC(C)(C)c1cscn1.CC(C)(C)c1csnn1.CC(C)(C)c1ncco1.CC(C)(C)c1nccs1.CC(C)(C)c1ncon1.CC(C)(C)c1ncsn1.CC(C)(C)c1nn[nH]n1.CC(C)c1cccnn1.CC(C)c1ccncn1.CC(C)c1cnccn1.CC(C)c1cncnn1.CC(C)c1ncccn1.CC(C)c1ncncn1
InChIInChI=1S/C8H13N.3C7H12N2.4C7H10N2.3C7H11NO.3C7H11NS.2C6H11N3.2C6H9N3.2C6H10N2O.2C6H10N2S.C5H10N4.23C2H6/c1-8(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)6-4-5-8-9-6;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-9-7;1-6(2)7-8-4-3-5-9-7;1-6(2)7-4-3-5-8-9-7;1-7(2,3)6-4-9-5-8-6;1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-5-9-8-6;1-7(2,3)6-4-9-5-8-6;1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-5-9-8-6;1-6(2,3)5-7-4-8-9-5;1-6(2,3)5-4-7-9-8-5;1-5(2)6-8-3-7-4-9-6;1-5(2)6-3-7-4-8-9-6;1-6(2,3)5-7-4-9-8-5;1-6(2,3)5-4-9-8-7-5;1-6(2,3)5-7-4-9-8-5;1-6(2,3)5-4-9-8-7-5;1-5(2,3)4-6-8-9-7-4;23*1-2/h4-5H,6H2,1-3H3;5H,4H2,1-3H3;4H,5H2,1-3H3;5H,4H2,1-3H3;4*3-6H,1-2H3;6*4-5H,1-3H3;2*4H2,1-3H3;2*3-5H,1-2H3;4*4H,1-3H3;1-3H3,(H,6,7,8,9);23*1-2H3
InChIKeyFKGFBWOWCXHSOD-UHFFFAOYSA-N
XLogP62.78
TPSA641.76 Ų
H-Bond Donors1
H-Bond Acceptors54
Rotatable Bonds6
Heavy Atoms253
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003634.89
LogP ≤ 562.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1054

Analyze 2-tert-butyl-4H-imidazole;5-tert-butyl-4H-imidazole;3-tert-butyl-1,2,4-oxadiazole;4-tert-butyloxadiazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;3-tert-butyl-4H-pyrazole;5-tert-butyl-2H-pyrrole;5-tert-butyl-2H-tetrazole;3-tert-butyl-1,2,4-thiadiazole;4-tert-butylthiadiazole;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-3H-1,2,4-triazole;5-tert-butyl-4H-triazole;ethane;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,5-triazine;6-propan-2-yl-1,2,4-triazine with MolForge

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Related Compounds

CID 157298273
CID 157298273
1-Benzyl-4-propan-2-ylpyrazole;5-tert-butyl-2-methyl-1,3-oxazole;3-cyclopropyl-5-propan-2-yl-1,2-oxazole;1-(2,2-difluoropropyl)-4-propan-2-ylpyrazole;1,3-dimethyl-4-propan-2-ylpyrazole;2,4-dimethyl-5-propan-2-yltriazole;3,5-dimethyl-1-propan-2-yl-1,2,4-triazole;1-ethyl-4-propan-2-yltriazole;2-fluoro-4-propan-2-ylpyridine;4-methyl-1-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-4-propan-2-yltriazole;3-methyl-1-propan-2-yl-1,2,4-triazole;1-propan-2-ylpyrazole;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;3-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;1-propan-2-yl-1,2,4-triazole
CID 158159608
CID 159495845
CID 159495845
1-Benzyl-4-propan-2-ylpyrazole;4-tert-butyl-1-ethyltriazole;3-cyclopropyl-5-propan-2-yl-1,2-oxazole;1-(2,2-difluoropropyl)-4-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-ylpyrazole;1,3-dimethyl-4-propan-2-ylpyrrole;1-fluoro-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylimidazole;4-methyl-1-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;2-methyl-5-propan-2-yl-1,3-oxazole;4-methyl-2-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;3-methyl-1-propan-2-yl-1,2,4-triazole;bis(1-propan-2-ylpyrazole);4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;3-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole
CID 160818881
CID 161272938
CID 161272938
1-Benzyl-4-propan-2-ylpyrazole;4-tert-butyl-1-ethyltriazole;5-tert-butyl-2-methyl-1,3-oxazole;3-cyclopropyl-5-propan-2-yl-1,2-oxazole;1-(2,2-difluoropropyl)-4-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-ylpyrazole;1,3-dimethyl-4-propan-2-ylpyrrole;1-fluoro-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylimidazole;4-methyl-1-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;4-methyl-2-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;3-methyl-1-propan-2-yl-1,2,4-triazole;bis(1-propan-2-ylpyrazole);4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;3-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole
CID 161548830
CID 162256587
CID 162256587
2-[1-(1,2-Oxazol-3-yl)-3-pyridazin-3-yl-4-pyrimidin-2-yl-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-2-thiophen-2-ylimidazolidin-2-yl]-1,3-oxazole
CID 141128881
ethane;furan;1H-imidazole;methane;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;thiadiazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole;2H-triazole
CID 157084765
ethane;isoquinoline;bis(2-methylpropane);bis(5-methyl-2-propan-2-yl-1H-imidazole);4-methyl-2-propan-2-yl-1,3-oxazole;4-methyl-3-propan-2-yl-1,2-oxazole;5-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-5-propan-2-yl-1H-pyrazole;4-methyl-2-propan-2-yl-1,3-thiazole;4-methyl-3-propan-2-yl-1,2-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-diaza-3-azanidacyclopenta-1,4-diene;4-propan-2-yl-1,3-diaza-2-azanidacyclopenta-3,5-diene;4-propan-2-yl-2,3-diaza-1-azanidacyclopenta-2,4-diene;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;5-propan-2-yl-1,2,3-triaza-4-azanidacyclopenta-2,5-diene;5-propan-2-yl-1,2,4-triaza-3-azanidacyclopenta-1,4-diene;quinoline;pentakis(rubidium(1+))
CID 157097324
3-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;3-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;4-propan-2-yl-3H-pyrrole;bis(5-propan-2-yl-2H-tetrazole);2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;3-propan-2-ylthiophene
CID 157105191
4-tert-butyl-5-chloro-N-propan-2-yl-1,3-thiazol-2-amine;2-tert-butyl-6-methylpyrazine;2-tert-butyl-4-methylpyrimidine;3-tert-butyl-N-propan-2-yl-1,2-oxazol-5-amine;4-tert-butyl-N-propan-2-yl-1,3-oxazol-2-amine;3-tert-butyl-5-propan-2-yl-1,2-oxazole;4-tert-butyl-2-propan-2-yl-1,3-oxazole;1-tert-butyl-3-propan-2-ylpyrazole;3-tert-butyl-1-propan-2-ylpyrazole;6-tert-butyl-N-propan-2-ylpyridin-2-amine;2-tert-butyl-6-propan-2-ylpyridine;4-tert-butyl-N-propan-2-yl-1,3-thiazol-2-amine;2-tert-butyl-4-propan-2-yl-1,3-thiazole;4-tert-butyl-2-propan-2-yl-1,3-thiazole;1-tert-butylpyrazole;methane
CID 157110350

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4H-imidazole;5-tert-butyl-4H-imidazole;3-tert-butyl-1,2,4-oxadiazole;4-tert-butyloxadiazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;3-tert-butyl-4H-pyrazole;5-tert-butyl-2H-pyrrole;5-tert-butyl-2H-tetrazole;3-tert-butyl-1,2,4-thiadiazole;4-tert-butylthiadiazole;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-3H-1,2,4-triazole;5-tert-butyl-4H-triazole;ethane;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,5-triazine;6-propan-2-yl-1,2,4-triazine?
The IUPAC name of 2-tert-butyl-4H-imidazole;5-tert-butyl-4H-imidazole;3-tert-butyl-1,2,4-oxadiazole;4-tert-butyloxadiazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;3-tert-butyl-4H-pyrazole;5-tert-butyl-2H-pyrrole;5-tert-butyl-2H-tetrazole;3-tert-butyl-1,2,4-thiadiazole;4-tert-butylthiadiazole;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-3H-1,2,4-triazole;5-tert-butyl-4H-triazole;ethane;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,5-triazine;6-propan-2-yl-1,2,4-triazine (CID 158057612) is 2-tert-butyl-4H-imidazole;5-tert-butyl-4H-imidazole;3-tert-butyl-1,2,4-oxadiazole;4-tert-butyloxadiazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;3-tert-butyl-4H-pyrazole;5-tert-butyl-2H-pyrrole;5-tert-butyl-2H-tetrazole;3-tert-butyl-1,2,4-thiadiazole;4-tert-butylthiadiazole;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-3H-1,2,4-triazole;5-tert-butyl-4H-triazole;ethane;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,5-triazine;6-propan-2-yl-1,2,4-triazine.
What is the SMILES notation for 2-tert-butyl-4H-imidazole;5-tert-butyl-4H-imidazole;3-tert-butyl-1,2,4-oxadiazole;4-tert-butyloxadiazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;3-tert-butyl-4H-pyrazole;5-tert-butyl-2H-pyrrole;5-tert-butyl-2H-tetrazole;3-tert-butyl-1,2,4-thiadiazole;4-tert-butylthiadiazole;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-3H-1,2,4-triazole;5-tert-butyl-4H-triazole;ethane;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,5-triazine;6-propan-2-yl-1,2,4-triazine?
The canonical SMILES for 2-tert-butyl-4H-imidazole;5-tert-butyl-4H-imidazole;3-tert-butyl-1,2,4-oxadiazole;4-tert-butyloxadiazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;3-tert-butyl-4H-pyrazole;5-tert-butyl-2H-pyrrole;5-tert-butyl-2H-tetrazole;3-tert-butyl-1,2,4-thiadiazole;4-tert-butylthiadiazole;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-3H-1,2,4-triazole;5-tert-butyl-4H-triazole;ethane;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,5-triazine;6-propan-2-yl-1,2,4-triazine is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)C1=NC=NC1.CC(C)(C)C1=NCC=C1.CC(C)(C)C1=NCC=N1.CC(C)(C)C1=NCN=N1.CC(C)(C)C1=NN=CC1.CC(C)(C)C1=NN=NC1.CC(C)(C)c1ccon1.CC(C)(C)c1ccsn1.CC(C)(C)c1cocn1.CC(C)(C)c1conn1.CC(C)(C)c1cscn1.CC(C)(C)c1csnn1.CC(C)(C)c1ncco1.CC(C)(C)c1nccs1.CC(C)(C)c1ncon1.CC(C)(C)c1ncsn1.CC(C)(C)c1nn[nH]n1.CC(C)c1cccnn1.CC(C)c1ccncn1.CC(C)c1cnccn1.CC(C)c1cncnn1.CC(C)c1ncccn1.CC(C)c1ncncn1.
What is the InChIKey of 2-tert-butyl-4H-imidazole;5-tert-butyl-4H-imidazole;3-tert-butyl-1,2,4-oxadiazole;4-tert-butyloxadiazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;3-tert-butyl-4H-pyrazole;5-tert-butyl-2H-pyrrole;5-tert-butyl-2H-tetrazole;3-tert-butyl-1,2,4-thiadiazole;4-tert-butylthiadiazole;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-3H-1,2,4-triazole;5-tert-butyl-4H-triazole;ethane;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,5-triazine;6-propan-2-yl-1,2,4-triazine?
The InChIKey is FKGFBWOWCXHSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N.3C7H12N2.4C7H10N2.3C7H11NO.3C7H11NS.2C6H11N3.2C6H9N3.2C6H10N2O.2C6H10N2S.C5H10N4.23C2H6/c1-8(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)6-4-5-8-9-6;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-9-7;1-6(2)7-8-4-3-5-9-7;1-6(2)7-4-3-5-8-9-7;1-7(2,3)6-4-9-5-8-6;1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-5-9-8-6;1-7(2,3)6-4-9-5-8-6;1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-5-9-8-6;1-6(2,3)5-7-4-8-9-5;1-6(2,3)5-4-7-9-8-5;1-5(2)6-8-3-7-4-9-6;1-5(2)6-3-7-4-8-9-6;1-6(2,3)5-7-4-9-8-5;1-6(2,3)5-4-9-8-7-5;1-6(2,3)5-7-4-9-8-5;1-6(2,3)5-4-9-8-7-5;1-5(2,3)4-6-8-9-7-4;23*1-2/h4-5H,6H2,1-3H3;5H,4H2,1-3H3;4H,5H2,1-3H3;5H,4H2,1-3H3;4*3-6H,1-2H3;6*4-5H,1-3H3;2*4H2,1-3H3;2*3-5H,1-2H3;4*4H,1-3H3;1-3H3,(H,6,7,8,9);23*1-2H3.
What are the key properties of 2-tert-butyl-4H-imidazole;5-tert-butyl-4H-imidazole;3-tert-butyl-1,2,4-oxadiazole;4-tert-butyloxadiazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;3-tert-butyl-4H-pyrazole;5-tert-butyl-2H-pyrrole;5-tert-butyl-2H-tetrazole;3-tert-butyl-1,2,4-thiadiazole;4-tert-butylthiadiazole;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-3H-1,2,4-triazole;5-tert-butyl-4H-triazole;ethane;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,5-triazine;6-propan-2-yl-1,2,4-triazine?
2-tert-butyl-4H-imidazole;5-tert-butyl-4H-imidazole;3-tert-butyl-1,2,4-oxadiazole;4-tert-butyloxadiazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;3-tert-butyl-4H-pyrazole;5-tert-butyl-2H-pyrrole;5-tert-butyl-2H-tetrazole;3-tert-butyl-1,2,4-thiadiazole;4-tert-butylthiadiazole;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-3H-1,2,4-triazole;5-tert-butyl-4H-triazole;ethane;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,5-triazine;6-propan-2-yl-1,2,4-triazine has a molecular weight of 3634.89 g/mol, XLogP of 62.78, 6 rotatable bonds, 1 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4H-imidazole;5-tert-butyl-4H-imidazole;3-tert-butyl-1,2,4-oxadiazole;4-tert-butyloxadiazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;3-tert-butyl-4H-pyrazole;5-tert-butyl-2H-pyrrole;5-tert-butyl-2H-tetrazole;3-tert-butyl-1,2,4-thiadiazole;4-tert-butylthiadiazole;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-3H-1,2,4-triazole;5-tert-butyl-4H-triazole;ethane;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,5-triazine;6-propan-2-yl-1,2,4-triazine is sourced from PubChem (CID 158057612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).