tert-butylbenzene;3-tert-butylfuran;5-tert-butyl-1H-imidazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;4-tert-butyl-1H-pyrazole;3-tert-butyl-1H-pyrrole;4-tert-butyl-1,3-thiazole;3-tert-butylthiophene;ethane;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene

C194H365N23O8S5 — CID 158077807

IUPACtert-butylbenzene;3-tert-butylfuran;5-tert-butyl-1H-imidazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;4-tert-butyl-1H-pyrazole;3-tert-butyl-1H-pyrrole;4-tert-butyl-1,3-thiazole;3-tert-butylthiophene;ethane;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)c1cc[nH]c1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccoc1.CC(C)(C)c1ccsc1.CC(C)(C)c1cn[nH]c1.CC(C)(C)c1cnc[nH]1.CC(C)(C)c1cnoc1.CC(C)(C)c1cocn1.CC(C)(C)c1cscn1.CC(C)c1ccc[nH]1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccn[nH]1.CC(C)c1ccn[nH]1.CC(C)c1ccno1.CC(C)c1ccon1.CC(C)c1cnc[nH]1.CC(C)c1cnco1.CC(C)c1cncs1.CC(C)c1ncc[nH]1.CC(C)c1ncco1.CC(C)c1nccs1
InChIInChI=1S/C10H14.C8H13N.C8H12O.C8H12S.2C7H12N2.2C7H11NO.C7H11NS.C7H11N.C7H10O.C7H10S.4C6H10N2.4C6H9NO.2C6H9NS.22C2H6/c1-10(2,3)9-7-5-4-6-8-9;3*1-8(2,3)7-4-5-9-6-7;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-4-9-5-8-6;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-4-9-5-8-6;3*1-6(2)7-4-3-5-8-7;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;2*1-5(2)6-3-4-7-8-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-4-7-8-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;22*1-2/h4-8H,1-3H3;4-6,9H,1-3H3;2*4-6H,1-3H3;2*4-5H,1-3H3,(H,8,9);3*4-5H,1-3H3;3-6,8H,1-2H3;2*3-6H,1-2H3;4*3-5H,1-2H3,(H,7,8);6*3-5H,1-2H3;22*1-2H3
InChIKeyFMOUWSRXUMTIEP-UHFFFAOYSA-N
MW3308.54 g/mol
LogP68.56
Rot. Bonds13

About tert-butylbenzene;3-tert-butylfuran;5-tert-butyl-1H-imidazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;4-tert-butyl-1H-pyrazole;3-tert-butyl-1H-pyrrole;4-tert-butyl-1,3-thiazole;3-tert-butylthiophene;ethane;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene

tert-butylbenzene;3-tert-butylfuran;5-tert-butyl-1H-imidazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;4-tert-butyl-1H-pyrazole;3-tert-butyl-1H-pyrrole;4-tert-butyl-1,3-thiazole;3-tert-butylthiophene;ethane;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene (PubChem CID 158077807) has the molecular formula C194H365N23O8S5 and a molecular weight of 3308.54 g/mol. Its IUPAC name is tert-butylbenzene;3-tert-butylfuran;5-tert-butyl-1H-imidazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;4-tert-butyl-1H-pyrazole;3-tert-butyl-1H-pyrrole;4-tert-butyl-1,3-thiazole;3-tert-butylthiophene;ethane;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene.

Molecular Properties

Compound Nametert-butylbenzene;3-tert-butylfuran;5-tert-butyl-1H-imidazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;4-tert-butyl-1H-pyrazole;3-tert-butyl-1H-pyrrole;4-tert-butyl-1,3-thiazole;3-tert-butylthiophene;ethane;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene
PubChem CID158077807
Molecular FormulaC194H365N23O8S5
Molecular Weight3308.54 g/mol
Exact Mass3305.75
IUPAC Nametert-butylbenzene;3-tert-butylfuran;5-tert-butyl-1H-imidazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;4-tert-butyl-1H-pyrazole;3-tert-butyl-1H-pyrrole;4-tert-butyl-1,3-thiazole;3-tert-butylthiophene;ethane;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)c1cc[nH]c1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccoc1.CC(C)(C)c1ccsc1.CC(C)(C)c1cn[nH]c1.CC(C)(C)c1cnc[nH]1.CC(C)(C)c1cnoc1.CC(C)(C)c1cocn1.CC(C)(C)c1cscn1.CC(C)c1ccc[nH]1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccn[nH]1.CC(C)c1ccn[nH]1.CC(C)c1ccno1.CC(C)c1ccon1.CC(C)c1cnc[nH]1.CC(C)c1cnco1.CC(C)c1cncs1.CC(C)c1ncc[nH]1.CC(C)c1ncco1.CC(C)c1nccs1
InChIInChI=1S/C10H14.C8H13N.C8H12O.C8H12S.2C7H12N2.2C7H11NO.C7H11NS.C7H11N.C7H10O.C7H10S.4C6H10N2.4C6H9NO.2C6H9NS.22C2H6/c1-10(2,3)9-7-5-4-6-8-9;3*1-8(2,3)7-4-5-9-6-7;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-4-9-5-8-6;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-4-9-5-8-6;3*1-6(2)7-4-3-5-8-7;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;2*1-5(2)6-3-4-7-8-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-4-7-8-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;22*1-2/h4-8H,1-3H3;4-6,9H,1-3H3;2*4-6H,1-3H3;2*4-5H,1-3H3,(H,8,9);3*4-5H,1-3H3;3-6,8H,1-2H3;2*3-6H,1-2H3;4*3-5H,1-2H3,(H,7,8);6*3-5H,1-2H3;22*1-2H3
InChIKeyFMOUWSRXUMTIEP-UHFFFAOYSA-N
XLogP68.56
TPSA424.79 Ų
H-Bond Donors8
H-Bond Acceptors28
Rotatable Bonds13
Heavy Atoms230
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003308.54
LogP ≤ 568.56
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1028

Analyze tert-butylbenzene;3-tert-butylfuran;5-tert-butyl-1H-imidazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;4-tert-butyl-1H-pyrazole;3-tert-butyl-1H-pyrrole;4-tert-butyl-1,3-thiazole;3-tert-butylthiophene;ethane;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene with MolForge

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Launch Full Analysis

Related Compounds

1-Benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-(difluoromethyl)-1,2,4-oxadiazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;2-tert-butyl-4-methylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-4-methylthiophene;5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole;5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2-oxazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)-1,2,4-triazole;2-fluoro-4-propan-2-ylpyridine;5-methyl-2-propan-2-yl-1,3-oxazole;(5-propan-2-yl-1,2-oxazol-3-yl)methanol;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;3-propan-2-ylpyridine
CID 157067177
1-Benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-(difluoromethyl)-1,2,4-oxadiazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;2-tert-butyl-4-methylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-4-methylthiophene;bis(5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2-oxazole);1,3-dimethyl-4-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)-1,2,4-triazole;2-fluoro-4-propan-2-ylpyridine;5-methyl-2-propan-2-yl-1,3-oxazole;(5-propan-2-yl-1,2-oxazol-3-yl)methanol;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;3-propan-2-ylpyridine
CID 157501942
3-tert-butyl-1-methylpyrazole;3-tert-butyl-1-methylpyrrole;2-tert-butyl-5-methyl-1,3,4-thiadiazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-3H-pyrazole;5-tert-butyl-3-(trifluoromethyl)-1,2-oxazole;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-di(propan-2-yl)-1,2-oxazole;1-ethyl-4-propan-2-ylpyrazole;methane;2-methyl-3-propan-2-ylfuran;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;5-methyl-2-propan-2-yl-1,3-thiazole;1-methyl-4-propan-2-yltriazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;(5-propan-2-yl-1,2-oxazol-3-yl)methanol;1-propan-2-ylpyrazole;4-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;1-propan-2-yl-1,2,4-triazole
CID 157603729
5-tert-butyl-3-(1,1-difluoroethyl)-1,2-oxazole;2-tert-butyl-5-methyl-1,3-oxazole;3-tert-butyl-1-methylpyrrole;4-tert-butyl-2-methyltriazole;1-(5-tert-butyl-1,2-oxazol-3-yl)-N,N-dimethylethenamine;5-tert-butyl-3-propyl-1,2-oxazole;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;3,5-ditert-butyl-1,2-oxazole;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;2-methyl-3-propan-2-ylfuran;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;1-methyl-4-propan-2-yltriazole;5-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole
CID 157658282
CID 157902277
CID 157902277
5-Tert-butyl-3-(2,2-difluoropropyl)-1,2-oxazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;5-tert-butyl-3-(1-fluoroethyl)-1,2,4-oxadiazole;2-tert-butyl-4-methylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-4-methylthiophene;1,3-dimethyl-4-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)-1,2,4-triazole;3-ethyl-5-propan-2-yl-1,2-oxazole;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine
CID 157916697
2-chloro-3-propan-2-ylpyridine;2-chloro-4-propan-2-ylpyridine;2-chloro-5-propan-2-ylpyridine;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,5-dimethyl-3-propan-2-yl-2H-pyrrole;5-methyl-3-propan-2-yl-1,2-oxazole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;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-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1,2,4-thiadiazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-yl-4-(trifluoromethyl)pyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine
CID 158019428
5-Tert-butyl-3-cyclopropyl-1,2-oxazole;2-tert-butyl-4-ethylfuran;5-tert-butyl-3-(1-fluoroethyl)-1,2,4-oxadiazole;2-tert-butyl-5-methylfuran;2-tert-butyl-4-methyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-4-methylthiophene;2-tert-butyl-4-(2,2,2-trifluoroethyl)-1,3-oxazole;5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2-oxazole;4-tert-butyl-1-(2,2,2-trifluoroethyl)pyrazole;2-cyclopropyl-5-propan-2-yl-1,3-oxazole;methane;5-propan-2-yl-1,3-oxazole
CID 158177441
3-tert-butyl-5-methyl-1,2,4-oxadiazole;N-tert-butyl-5-methyl-1,2,4-oxadiazole-3-carboxamide;3-tert-butyl-5-methyl-1H-1,2,4-triazole;3-cyclopropyl-5-methyl-1,2,4-oxadiazole;3-cyclopropyl-5-methyl-1H-1,2,4-triazole;2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);2,4-dimethyl-1,3-oxazole;4,5-dimethyl-1,2-oxazole;4,5-dimethyl-1H-pyrazole;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole;2,4-dimethyltriazole;3,5-dimethyl-1H-1,2,4-triazole;2-ethyl-5-methyltetrazole;2-methyl-1,3-benzoxazole;3-methyl-1,2-benzoxazole;5-methyl-1,2,4-oxadiazole-3-carboxylic acid;5-methyl-3-phenyl-1,2,4-oxadiazole;2-methylpyrimidine;2-methyl-4,5,6,7-tetrahydro-3H-indole;5-methyl-3-(trifluoromethyl)-1H-1,2,4-triazole
CID 158248952
1-benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-(1,1-difluoroethyl)-1,2-oxazole;3-tert-butyl-1-methylpyrazole;3-tert-butyl-1-methylpyrrole;2-tert-butyl-1,3,4-thiadiazole;4-tert-butyl-2H-triazole;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;1,5-dimethyl-4-propan-2-ylpyrazole;1-ethyl-4-propan-2-ylpyrazole;2-methyl-3-propan-2-ylfuran;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;5-methyl-2-propan-2-yl-1,3-thiazole;1-methyl-4-propan-2-yltriazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;(5-propan-2-yl-1,2-oxazol-3-yl)methanol;1-propan-2-ylpyrazole;(5-propan-2-ylthiophen-2-yl)methanol;1-propan-2-yl-1,2,4-triazole
CID 158463660
5-tert-butyl-3-cyclopropyl-1,2-oxazole;5-tert-butyl-2-cyclopropyl-1,3-thiazole;2-tert-butyl-4-ethylfuran;2-tert-butyl-4-ethyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3-oxazole;3-tert-butyl-1-methylpyrazole;1-(5-tert-butyl-1,2-oxazol-3-yl)-N,N-dimethylethenamine;4-[1-(5-tert-butyl-1,2-oxazol-3-yl)ethenyl]morpholine;3,5-ditert-butyl-1,2-oxazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;1-fluoro-3-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-4-propylfuran;5-propan-2-yl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole
CID 158686382
5-tert-butyl-3-(1,1-difluoroethyl)-1,2-oxazole;bis(3-tert-butyl-1-methylpyrazole);3-tert-butyl-1-methylpyrrole;2-tert-butyl-5-methyl-1,3,4-thiadiazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-3H-pyrazole;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;3,5-ditert-butyl-1,2-oxazole;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;3-ethyl-5-propan-2-yl-1,2-oxazole;2-methyl-3-propan-2-ylfuran;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;5-methyl-2-propan-2-yl-1,3-thiazole;1-methyl-4-propan-2-yltriazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole
CID 158711469

Frequently Asked Questions

What is the IUPAC name of tert-butylbenzene;3-tert-butylfuran;5-tert-butyl-1H-imidazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;4-tert-butyl-1H-pyrazole;3-tert-butyl-1H-pyrrole;4-tert-butyl-1,3-thiazole;3-tert-butylthiophene;ethane;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene?
The IUPAC name of tert-butylbenzene;3-tert-butylfuran;5-tert-butyl-1H-imidazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;4-tert-butyl-1H-pyrazole;3-tert-butyl-1H-pyrrole;4-tert-butyl-1,3-thiazole;3-tert-butylthiophene;ethane;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene (CID 158077807) is tert-butylbenzene;3-tert-butylfuran;5-tert-butyl-1H-imidazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;4-tert-butyl-1H-pyrazole;3-tert-butyl-1H-pyrrole;4-tert-butyl-1,3-thiazole;3-tert-butylthiophene;ethane;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene.
What is the SMILES notation for tert-butylbenzene;3-tert-butylfuran;5-tert-butyl-1H-imidazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;4-tert-butyl-1H-pyrazole;3-tert-butyl-1H-pyrrole;4-tert-butyl-1,3-thiazole;3-tert-butylthiophene;ethane;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene?
The canonical SMILES for tert-butylbenzene;3-tert-butylfuran;5-tert-butyl-1H-imidazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;4-tert-butyl-1H-pyrazole;3-tert-butyl-1H-pyrrole;4-tert-butyl-1,3-thiazole;3-tert-butylthiophene;ethane;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene is 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)c1cc[nH]c1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccoc1.CC(C)(C)c1ccsc1.CC(C)(C)c1cn[nH]c1.CC(C)(C)c1cnc[nH]1.CC(C)(C)c1cnoc1.CC(C)(C)c1cocn1.CC(C)(C)c1cscn1.CC(C)c1ccc[nH]1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccn[nH]1.CC(C)c1ccn[nH]1.CC(C)c1ccno1.CC(C)c1ccon1.CC(C)c1cnc[nH]1.CC(C)c1cnco1.CC(C)c1cncs1.CC(C)c1ncc[nH]1.CC(C)c1ncco1.CC(C)c1nccs1.
What is the InChIKey of tert-butylbenzene;3-tert-butylfuran;5-tert-butyl-1H-imidazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;4-tert-butyl-1H-pyrazole;3-tert-butyl-1H-pyrrole;4-tert-butyl-1,3-thiazole;3-tert-butylthiophene;ethane;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene?
The InChIKey is FMOUWSRXUMTIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14.C8H13N.C8H12O.C8H12S.2C7H12N2.2C7H11NO.C7H11NS.C7H11N.C7H10O.C7H10S.4C6H10N2.4C6H9NO.2C6H9NS.22C2H6/c1-10(2,3)9-7-5-4-6-8-9;3*1-8(2,3)7-4-5-9-6-7;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-4-9-5-8-6;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-4-9-5-8-6;3*1-6(2)7-4-3-5-8-7;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;2*1-5(2)6-3-4-7-8-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-4-7-8-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;22*1-2/h4-8H,1-3H3;4-6,9H,1-3H3;2*4-6H,1-3H3;2*4-5H,1-3H3,(H,8,9);3*4-5H,1-3H3;3-6,8H,1-2H3;2*3-6H,1-2H3;4*3-5H,1-2H3,(H,7,8);6*3-5H,1-2H3;22*1-2H3.
What are the key properties of tert-butylbenzene;3-tert-butylfuran;5-tert-butyl-1H-imidazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;4-tert-butyl-1H-pyrazole;3-tert-butyl-1H-pyrrole;4-tert-butyl-1,3-thiazole;3-tert-butylthiophene;ethane;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene?
tert-butylbenzene;3-tert-butylfuran;5-tert-butyl-1H-imidazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;4-tert-butyl-1H-pyrazole;3-tert-butyl-1H-pyrrole;4-tert-butyl-1,3-thiazole;3-tert-butylthiophene;ethane;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene has a molecular weight of 3308.54 g/mol, XLogP of 68.56, 13 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylbenzene;3-tert-butylfuran;5-tert-butyl-1H-imidazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;4-tert-butyl-1H-pyrazole;3-tert-butyl-1H-pyrrole;4-tert-butyl-1,3-thiazole;3-tert-butylthiophene;ethane;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene is sourced from PubChem (CID 158077807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).