2-tert-butylcyclopenta-1,3-diene;2-tert-butylfuran;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;4-tert-butyl-1,3-thiazole;3-tert-butylthiophene;1-(2-methylpropyl)cyclopenta-1,3-diene;2-(2-methylpropyl)furan;3-(2-methylpropyl)furan;5-(2-methylpropyl)-1H-imidazole;4-(2-methylpropyl)-1,3-oxazole;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyrimidine;3-(2-methylpropyl)-1H-pyrrole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene

C187H285N17O6S4 — CID 157336614

IUPAC2-tert-butylcyclopenta-1,3-diene;2-tert-butylfuran;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;4-tert-butyl-1,3-thiazole;3-tert-butylthiophene;1-(2-methylpropyl)cyclopenta-1,3-diene;2-(2-methylpropyl)furan;3-(2-methylpropyl)furan;5-(2-methylpropyl)-1H-imidazole;4-(2-methylpropyl)-1,3-oxazole;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyrimidine;3-(2-methylpropyl)-1H-pyrrole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene
SMILESCC(C)(C)C1=CCC=C1.CC(C)(C)C1=CCC=N1.CC(C)(C)C1=NCC=C1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccco1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccon1.CC(C)(C)c1ccsc1.CC(C)(C)c1cocn1.CC(C)(C)c1cscn1.CC(C)CC1=CC=CC1.CC(C)Cc1cc[nH]c1.CC(C)Cc1ccccn1.CC(C)Cc1cccnc1.CC(C)Cc1ccco1.CC(C)Cc1cccs1.CC(C)Cc1ccncc1.CC(C)Cc1ccncn1.CC(C)Cc1ccoc1.CC(C)Cc1ccsc1.CC(C)Cc1cnc[nH]1.CC(C)Cc1cocn1
InChIInChI=1S/6C9H13N.2C9H14.C8H12N2.3C8H13N.3C8H12O.3C8H12S.C7H12N2.3C7H11NO.C7H11NS/c1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-8(2)7-9-3-5-10-6-4-9;1-8(2)6-9-4-3-5-10-7-9;1-8(2)7-9-5-3-4-6-10-9;1-9(2,3)8-6-4-5-7-8;1-8(2)7-9-5-3-4-6-9;1-7(2)5-8-3-4-9-6-10-8;2*1-8(2,3)7-5-4-6-9-7;1-7(2)5-8-3-4-9-6-8;1-8(2,3)7-5-4-6-9-7;1-7(2)5-8-3-4-9-6-8;1-7(2)6-8-4-3-5-9-8;1-8(2,3)7-4-5-9-6-7;1-7(2)5-8-3-4-9-6-8;1-7(2)6-8-4-3-5-9-8;1-6(2)3-7-4-8-5-9-7;1-7(2,3)6-4-9-5-8-6;1-6(2)3-7-4-9-5-8-7;1-7(2,3)6-4-5-9-8-6;1-7(2,3)6-4-9-5-8-6/h3*4-7H,1-3H3;3-6,8H,7H2,1-2H3;3-5,7-8H,6H2,1-2H3;3-6,8H,7H2,1-2H3;4,6-7H,5H2,1-3H3;3-5,8H,6-7H2,1-2H3;3-4,6-7H,5H2,1-2H3;5-6H,4H2,1-3H3;4-5H,6H2,1-3H3;3-4,6-7,9H,5H2,1-2H3;4-6H,1-3H3;3-4,6-7H,5H2,1-2H3;3-5,7H,6H2,1-2H3;4-6H,1-3H3;3-4,6-7H,5H2,1-2H3;3-5,7H,6H2,1-2H3;4-6H,3H2,1-2H3,(H,8,9);4-5H,1-3H3;4-6H,3H2,1-2H3;2*4-5H,1-3H3
InChIKeyBFXJECBHASADEJ-UHFFFAOYSA-N
MW2995.72 g/mol
LogP54.48
Rot. Bonds24

About 2-tert-butylcyclopenta-1,3-diene;2-tert-butylfuran;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;4-tert-butyl-1,3-thiazole;3-tert-butylthiophene;1-(2-methylpropyl)cyclopenta-1,3-diene;2-(2-methylpropyl)furan;3-(2-methylpropyl)furan;5-(2-methylpropyl)-1H-imidazole;4-(2-methylpropyl)-1,3-oxazole;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyrimidine;3-(2-methylpropyl)-1H-pyrrole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene

2-tert-butylcyclopenta-1,3-diene;2-tert-butylfuran;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;4-tert-butyl-1,3-thiazole;3-tert-butylthiophene;1-(2-methylpropyl)cyclopenta-1,3-diene;2-(2-methylpropyl)furan;3-(2-methylpropyl)furan;5-(2-methylpropyl)-1H-imidazole;4-(2-methylpropyl)-1,3-oxazole;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyrimidine;3-(2-methylpropyl)-1H-pyrrole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene (PubChem CID 157336614) has the molecular formula C187H285N17O6S4 and a molecular weight of 2995.72 g/mol. Its IUPAC name is 2-tert-butylcyclopenta-1,3-diene;2-tert-butylfuran;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;4-tert-butyl-1,3-thiazole;3-tert-butylthiophene;1-(2-methylpropyl)cyclopenta-1,3-diene;2-(2-methylpropyl)furan;3-(2-methylpropyl)furan;5-(2-methylpropyl)-1H-imidazole;4-(2-methylpropyl)-1,3-oxazole;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyrimidine;3-(2-methylpropyl)-1H-pyrrole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene.

Molecular Properties

Compound Name2-tert-butylcyclopenta-1,3-diene;2-tert-butylfuran;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;4-tert-butyl-1,3-thiazole;3-tert-butylthiophene;1-(2-methylpropyl)cyclopenta-1,3-diene;2-(2-methylpropyl)furan;3-(2-methylpropyl)furan;5-(2-methylpropyl)-1H-imidazole;4-(2-methylpropyl)-1,3-oxazole;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyrimidine;3-(2-methylpropyl)-1H-pyrrole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene
PubChem CID157336614
Molecular FormulaC187H285N17O6S4
Molecular Weight2995.72 g/mol
Exact Mass2993.14
IUPAC Name2-tert-butylcyclopenta-1,3-diene;2-tert-butylfuran;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;4-tert-butyl-1,3-thiazole;3-tert-butylthiophene;1-(2-methylpropyl)cyclopenta-1,3-diene;2-(2-methylpropyl)furan;3-(2-methylpropyl)furan;5-(2-methylpropyl)-1H-imidazole;4-(2-methylpropyl)-1,3-oxazole;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyrimidine;3-(2-methylpropyl)-1H-pyrrole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene
SMILESCC(C)(C)C1=CCC=C1.CC(C)(C)C1=CCC=N1.CC(C)(C)C1=NCC=C1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccco1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccon1.CC(C)(C)c1ccsc1.CC(C)(C)c1cocn1.CC(C)(C)c1cscn1.CC(C)CC1=CC=CC1.CC(C)Cc1cc[nH]c1.CC(C)Cc1ccccn1.CC(C)Cc1cccnc1.CC(C)Cc1ccco1.CC(C)Cc1cccs1.CC(C)Cc1ccncc1.CC(C)Cc1ccncn1.CC(C)Cc1ccoc1.CC(C)Cc1ccsc1.CC(C)Cc1cnc[nH]1.CC(C)Cc1cocn1
InChIInChI=1S/6C9H13N.2C9H14.C8H12N2.3C8H13N.3C8H12O.3C8H12S.C7H12N2.3C7H11NO.C7H11NS/c1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-8(2)7-9-3-5-10-6-4-9;1-8(2)6-9-4-3-5-10-7-9;1-8(2)7-9-5-3-4-6-10-9;1-9(2,3)8-6-4-5-7-8;1-8(2)7-9-5-3-4-6-9;1-7(2)5-8-3-4-9-6-10-8;2*1-8(2,3)7-5-4-6-9-7;1-7(2)5-8-3-4-9-6-8;1-8(2,3)7-5-4-6-9-7;1-7(2)5-8-3-4-9-6-8;1-7(2)6-8-4-3-5-9-8;1-8(2,3)7-4-5-9-6-7;1-7(2)5-8-3-4-9-6-8;1-7(2)6-8-4-3-5-9-8;1-6(2)3-7-4-8-5-9-7;1-7(2,3)6-4-9-5-8-6;1-6(2)3-7-4-9-5-8-7;1-7(2,3)6-4-5-9-8-6;1-7(2,3)6-4-9-5-8-6/h3*4-7H,1-3H3;3-6,8H,7H2,1-2H3;3-5,7-8H,6H2,1-2H3;3-6,8H,7H2,1-2H3;4,6-7H,5H2,1-3H3;3-5,8H,6-7H2,1-2H3;3-4,6-7H,5H2,1-2H3;5-6H,4H2,1-3H3;4-5H,6H2,1-3H3;3-4,6-7,9H,5H2,1-2H3;4-6H,1-3H3;3-4,6-7H,5H2,1-2H3;3-5,7H,6H2,1-2H3;4-6H,1-3H3;3-4,6-7H,5H2,1-2H3;3-5,7H,6H2,1-2H3;4-6H,3H2,1-2H3,(H,8,9);4-5H,1-3H3;4-6H,3H2,1-2H3;2*4-5H,1-3H3
InChIKeyBFXJECBHASADEJ-UHFFFAOYSA-N
XLogP54.48
TPSA302.71 Ų
H-Bond Donors2
H-Bond Acceptors25
Rotatable Bonds24
Heavy Atoms214
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002995.72
LogP ≤ 554.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1025

Analyze 2-tert-butylcyclopenta-1,3-diene;2-tert-butylfuran;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;4-tert-butyl-1,3-thiazole;3-tert-butylthiophene;1-(2-methylpropyl)cyclopenta-1,3-diene;2-(2-methylpropyl)furan;3-(2-methylpropyl)furan;5-(2-methylpropyl)-1H-imidazole;4-(2-methylpropyl)-1,3-oxazole;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyrimidine;3-(2-methylpropyl)-1H-pyrrole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene with MolForge

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Related Compounds

CID 157181702
CID 157181702
CID 157902277
CID 157902277
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
CID 158046770
CID 158046770
cumene;2-cyclopropyl-5-propan-2-ylpyridine;1,2-dimethyl-5-propan-2-ylimidazole;N,N-dimethyl-5-propan-2-ylpyrimidin-2-amine;2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)pyridine;1-hydroxy-3-propan-2-ylpyridin-1-ium;methane;2-methyl-5-propan-2-yl-1H-imidazole;pentakis(2-methyl-5-propan-2-ylpyridine);1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-yl-1H-imidazole;3-propan-2-yl-1,2,4-oxadiazole;4-propan-2-yloxadiazole;5-propan-2-yloxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carboxylic acid;4-propan-2-ylpyrimidine;4-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;bis(5-propan-2-yl-2-(trifluoromethyl)pyridine)
CID 158218996
8-[2-(dimethylamino)ethyl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-6-[2-(1,2-oxazol-4-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-6-[5-(3H-pyrrol-5-yl)-2-pyridinyl]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-[1-(furan-3-yl)imidazol-2-yl]-8-(oxolan-3-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[4-(furan-2-yl)phenyl]-8-phenyl-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-4-yl)amino]anilino]-6-[2-(1,3-oxazol-2-yl)pyrimidin-5-yl]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one
CID 159084449
CID 159328819
CID 159328819
1-Benzyl-4-propan-2-ylpyrazole;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;3-propan-2-ylpyridine
CID 159443558
tert-butyl 2-tert-butylpyrrole-1-carboxylate;1-tert-butyl-4,4-difluoropiperidine;4-tert-butyl-3,5-dimethyl-1,2-oxazole;3-tert-butyl-2-fluoropyridine;2-tert-butylfuran;3-tert-butylfuran;2-tert-butyl-2-methyl-1,3-dioxolane;5-tert-butyl-2-methyl-1,3-oxazole;2-tert-butyl-1,3-oxazole;1-tert-butylpiperazine;1-tert-butylpiperidine;5-tert-butylpyrimidine;2-tert-butyl-1H-pyrrole;1-tert-butylpyrrolidine;4-tert-butylthiadiazole;4-tert-butyl-1,4-thiazinane 1,1-dioxide;4-tert-butylthiomorpholine;3-tert-butylthiophene;methyl 2,2,3,3-tetramethylbutanoate
CID 159673351
2-cyclopropyl-5-propan-2-ylpyridine;2,5-di(propan-2-yl)pyridine;2,5-di(propan-2-yl)pyrimidine;2-ethyl-5-propan-2-ylpyridine;1-hydroxy-3-propan-2-ylpyridin-1-ium;2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-5-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;3-propan-2-yl-1,2,4-oxadiazole;4-propan-2-yloxadiazole;5-propan-2-yloxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-2-propylpyridine;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carboxylic acid;(5-propan-2-yl-2-pyridinyl)methanol;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;bis(5-propan-2-yl-2-(trifluoromethyl)pyridine)
CID 159736945
cumene;methane;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-indole;5-propan-2-yl-1,2,4-oxadiazole;bis(2-propan-2-yl-1,3-oxazole);5-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;bis(5-propan-2-yl-1H-pyrazole);bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-1,2,4-thiadiazole;bis(2-propan-2-yl-1,3-thiazole);bis(2-propan-2-ylthiophene);2-propan-2-yl-5-(trifluoromethyl)-1,3-thiazole
CID 159939351
CID 161180427
CID 161180427

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylcyclopenta-1,3-diene;2-tert-butylfuran;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;4-tert-butyl-1,3-thiazole;3-tert-butylthiophene;1-(2-methylpropyl)cyclopenta-1,3-diene;2-(2-methylpropyl)furan;3-(2-methylpropyl)furan;5-(2-methylpropyl)-1H-imidazole;4-(2-methylpropyl)-1,3-oxazole;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyrimidine;3-(2-methylpropyl)-1H-pyrrole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene?
The IUPAC name of 2-tert-butylcyclopenta-1,3-diene;2-tert-butylfuran;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;4-tert-butyl-1,3-thiazole;3-tert-butylthiophene;1-(2-methylpropyl)cyclopenta-1,3-diene;2-(2-methylpropyl)furan;3-(2-methylpropyl)furan;5-(2-methylpropyl)-1H-imidazole;4-(2-methylpropyl)-1,3-oxazole;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyrimidine;3-(2-methylpropyl)-1H-pyrrole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene (CID 157336614) is 2-tert-butylcyclopenta-1,3-diene;2-tert-butylfuran;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;4-tert-butyl-1,3-thiazole;3-tert-butylthiophene;1-(2-methylpropyl)cyclopenta-1,3-diene;2-(2-methylpropyl)furan;3-(2-methylpropyl)furan;5-(2-methylpropyl)-1H-imidazole;4-(2-methylpropyl)-1,3-oxazole;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyrimidine;3-(2-methylpropyl)-1H-pyrrole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene.
What is the SMILES notation for 2-tert-butylcyclopenta-1,3-diene;2-tert-butylfuran;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;4-tert-butyl-1,3-thiazole;3-tert-butylthiophene;1-(2-methylpropyl)cyclopenta-1,3-diene;2-(2-methylpropyl)furan;3-(2-methylpropyl)furan;5-(2-methylpropyl)-1H-imidazole;4-(2-methylpropyl)-1,3-oxazole;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyrimidine;3-(2-methylpropyl)-1H-pyrrole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene?
The canonical SMILES for 2-tert-butylcyclopenta-1,3-diene;2-tert-butylfuran;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;4-tert-butyl-1,3-thiazole;3-tert-butylthiophene;1-(2-methylpropyl)cyclopenta-1,3-diene;2-(2-methylpropyl)furan;3-(2-methylpropyl)furan;5-(2-methylpropyl)-1H-imidazole;4-(2-methylpropyl)-1,3-oxazole;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyrimidine;3-(2-methylpropyl)-1H-pyrrole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene is CC(C)(C)C1=CCC=C1.CC(C)(C)C1=CCC=N1.CC(C)(C)C1=NCC=C1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccco1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccon1.CC(C)(C)c1ccsc1.CC(C)(C)c1cocn1.CC(C)(C)c1cscn1.CC(C)CC1=CC=CC1.CC(C)Cc1cc[nH]c1.CC(C)Cc1ccccn1.CC(C)Cc1cccnc1.CC(C)Cc1ccco1.CC(C)Cc1cccs1.CC(C)Cc1ccncc1.CC(C)Cc1ccncn1.CC(C)Cc1ccoc1.CC(C)Cc1ccsc1.CC(C)Cc1cnc[nH]1.CC(C)Cc1cocn1.
What is the InChIKey of 2-tert-butylcyclopenta-1,3-diene;2-tert-butylfuran;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;4-tert-butyl-1,3-thiazole;3-tert-butylthiophene;1-(2-methylpropyl)cyclopenta-1,3-diene;2-(2-methylpropyl)furan;3-(2-methylpropyl)furan;5-(2-methylpropyl)-1H-imidazole;4-(2-methylpropyl)-1,3-oxazole;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyrimidine;3-(2-methylpropyl)-1H-pyrrole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene?
The InChIKey is BFXJECBHASADEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/6C9H13N.2C9H14.C8H12N2.3C8H13N.3C8H12O.3C8H12S.C7H12N2.3C7H11NO.C7H11NS/c1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-8(2)7-9-3-5-10-6-4-9;1-8(2)6-9-4-3-5-10-7-9;1-8(2)7-9-5-3-4-6-10-9;1-9(2,3)8-6-4-5-7-8;1-8(2)7-9-5-3-4-6-9;1-7(2)5-8-3-4-9-6-10-8;2*1-8(2,3)7-5-4-6-9-7;1-7(2)5-8-3-4-9-6-8;1-8(2,3)7-5-4-6-9-7;1-7(2)5-8-3-4-9-6-8;1-7(2)6-8-4-3-5-9-8;1-8(2,3)7-4-5-9-6-7;1-7(2)5-8-3-4-9-6-8;1-7(2)6-8-4-3-5-9-8;1-6(2)3-7-4-8-5-9-7;1-7(2,3)6-4-9-5-8-6;1-6(2)3-7-4-9-5-8-7;1-7(2,3)6-4-5-9-8-6;1-7(2,3)6-4-9-5-8-6/h3*4-7H,1-3H3;3-6,8H,7H2,1-2H3;3-5,7-8H,6H2,1-2H3;3-6,8H,7H2,1-2H3;4,6-7H,5H2,1-3H3;3-5,8H,6-7H2,1-2H3;3-4,6-7H,5H2,1-2H3;5-6H,4H2,1-3H3;4-5H,6H2,1-3H3;3-4,6-7,9H,5H2,1-2H3;4-6H,1-3H3;3-4,6-7H,5H2,1-2H3;3-5,7H,6H2,1-2H3;4-6H,1-3H3;3-4,6-7H,5H2,1-2H3;3-5,7H,6H2,1-2H3;4-6H,3H2,1-2H3,(H,8,9);4-5H,1-3H3;4-6H,3H2,1-2H3;2*4-5H,1-3H3.
What are the key properties of 2-tert-butylcyclopenta-1,3-diene;2-tert-butylfuran;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;4-tert-butyl-1,3-thiazole;3-tert-butylthiophene;1-(2-methylpropyl)cyclopenta-1,3-diene;2-(2-methylpropyl)furan;3-(2-methylpropyl)furan;5-(2-methylpropyl)-1H-imidazole;4-(2-methylpropyl)-1,3-oxazole;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyrimidine;3-(2-methylpropyl)-1H-pyrrole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene?
2-tert-butylcyclopenta-1,3-diene;2-tert-butylfuran;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;4-tert-butyl-1,3-thiazole;3-tert-butylthiophene;1-(2-methylpropyl)cyclopenta-1,3-diene;2-(2-methylpropyl)furan;3-(2-methylpropyl)furan;5-(2-methylpropyl)-1H-imidazole;4-(2-methylpropyl)-1,3-oxazole;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyrimidine;3-(2-methylpropyl)-1H-pyrrole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene has a molecular weight of 2995.72 g/mol, XLogP of 54.48, 24 rotatable bonds, 2 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylcyclopenta-1,3-diene;2-tert-butylfuran;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;4-tert-butyl-1,3-thiazole;3-tert-butylthiophene;1-(2-methylpropyl)cyclopenta-1,3-diene;2-(2-methylpropyl)furan;3-(2-methylpropyl)furan;5-(2-methylpropyl)-1H-imidazole;4-(2-methylpropyl)-1,3-oxazole;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyrimidine;3-(2-methylpropyl)-1H-pyrrole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene is sourced from PubChem (CID 157336614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).