2,3-dimethylbutan-2-ylbenzene;3,5-dimethyl-4-(3-methylbut-1-en-2-yl)-1,2-oxazole;1,3-dimethyl-5-(2-methylpropyl)pyrazole;4-(3-methylbutyl)morpholine;bis(2-methyl-4-(3-methylbutan-2-yl)-1,3-thiazole);4-methyl-2-(1-methyl-4-propan-2-ylpyrrolidin-3-yl)-1,3-thiazole;1-methyl-4-(2-methylpropyl)imidazole;4-methyl-3-(2-methylpropyl)-1,2-oxazole;3-methyl-4-(2-methylpropyl)-5-phenyl-2H-pyrrole;1-methyl-3-(3-methylthiophen-2-yl)-4-propan-2-ylpyrrolidine;(3S)-1-methyl-3-(4-methylthiophen-2-yl)-4-propan-2-ylpyrrolidine;1-(3-methyl-2-phenylbutyl)piperidine;1-methyl-3-(2-phenylethyl)-4-propan-2-ylpyrrolidine;tris(2-methylpropane);1-methyl-1-propan-2-ylcyclopropane;3-(1-methyl-4-propan-2-ylpyrrolidin-3-yl)pyridine;3-(2-methylpropyl)-1-benzothiophene;1,3,5-trimethyl-4-(2-methylpropyl)pyrazole

C213H352N20O3S6 — CID 159444203

IUPAC2,3-dimethylbutan-2-ylbenzene;3,5-dimethyl-4-(3-methylbut-1-en-2-yl)-1,2-oxazole;1,3-dimethyl-5-(2-methylpropyl)pyrazole;4-(3-methylbutyl)morpholine;bis(2-methyl-4-(3-methylbutan-2-yl)-1,3-thiazole);4-methyl-2-(1-methyl-4-propan-2-ylpyrrolidin-3-yl)-1,3-thiazole;1-methyl-4-(2-methylpropyl)imidazole;4-methyl-3-(2-methylpropyl)-1,2-oxazole;3-methyl-4-(2-methylpropyl)-5-phenyl-2H-pyrrole;1-methyl-3-(3-methylthiophen-2-yl)-4-propan-2-ylpyrrolidine;(3S)-1-methyl-3-(4-methylthiophen-2-yl)-4-propan-2-ylpyrrolidine;1-(3-methyl-2-phenylbutyl)piperidine;1-methyl-3-(2-phenylethyl)-4-propan-2-ylpyrrolidine;tris(2-methylpropane);1-methyl-1-propan-2-ylcyclopropane;3-(1-methyl-4-propan-2-ylpyrrolidin-3-yl)pyridine;3-(2-methylpropyl)-1-benzothiophene;1,3,5-trimethyl-4-(2-methylpropyl)pyrazole
SMILESC=C(c1c(C)noc1C)C(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C(C)(C)c1ccccc1.CC(C)C(CN1CCCCC1)c1ccccc1.CC(C)C1(C)CC1.CC(C)C1CN(C)CC1CCc1ccccc1.CC(C)C1CN(C)CC1c1cccnc1.CC(C)CCN1CCOCC1.CC(C)Cc1cn(C)cn1.CC(C)Cc1csc2ccccc12.CC1=C(CC(C)C)C(c2ccccc2)=NC1.Cc1cc(CC(C)C)n(C)n1.Cc1ccsc1C1CN(C)CC1C(C)C.Cc1conc1CC(C)C.Cc1csc(C2CN(C)CC2C(C)C)n1.Cc1csc([C@@H]2CN(C)CC2C(C)C)c1.Cc1nc(C(C)C(C)C)cs1.Cc1nc(C(C)C(C)C)cs1.Cc1nn(C)c(C)c1CC(C)C
InChIInChI=1S/2C16H25N.C15H19N.C13H20N2.2C13H21NS.C12H20N2S.C12H14S.C12H18.C10H18N2.C10H15NO.C9H16N2.C9H19NO.2C9H15NS.C8H14N2.C8H13NO.C7H14.3C4H10/c1-13(2)16-12-17(3)11-15(16)10-9-14-7-5-4-6-8-14;1-14(2)16(15-9-5-3-6-10-15)13-17-11-7-4-8-12-17;1-11(2)9-14-12(3)10-16-15(14)13-7-5-4-6-8-13;1-10(2)12-8-15(3)9-13(12)11-5-4-6-14-7-11;1-9(2)11-6-14(4)7-12(11)13-5-10(3)8-15-13;1-9(2)11-7-14(4)8-12(11)13-10(3)5-6-15-13;1-8(2)10-5-14(4)6-11(10)12-13-9(3)7-15-12;1-9(2)7-10-8-13-12-6-4-3-5-11(10)12;1-10(2)12(3,4)11-8-6-5-7-9-11;1-7(2)6-10-8(3)11-12(5)9(10)4;1-6(2)7(3)10-8(4)11-12-9(10)5;1-7(2)5-9-6-8(3)10-11(9)4;1-9(2)3-4-10-5-7-11-8-6-10;2*1-6(2)7(3)9-5-11-8(4)10-9;1-7(2)4-8-5-10(3)6-9-8;1-6(2)4-8-7(3)5-10-9-8;1-6(2)7(3)4-5-7;3*1-4(2)3/h4-8,13,15-16H,9-12H2,1-3H3;3,5-6,9-10,14,16H,4,7-8,11-13H2,1-2H3;4-8,11H,9-10H2,1-3H3;4-7,10,12-13H,8-9H2,1-3H3;5,8-9,11-12H,6-7H2,1-4H3;5-6,9,11-12H,7-8H2,1-4H3;7-8,10-11H,5-6H2,1-4H3;3-6,8-9H,7H2,1-2H3;5-10H,1-4H3;7H,6H2,1-5H3;6H,3H2,1-2,4-5H3;6-7H,5H2,1-4H3;9H,3-8H2,1-2H3;2*5-7H,1-4H3;5-7H,4H2,1-3H3;5-6H,4H2,1-3H3;6H,4-5H2,1-3H3;3*4H,1-3H3/t;;;;11?,12-;;;;;;;;;;;;;;;;/m....1................/s1
InChIKeyLSOGKWLARZMOBT-VUXJBVDMSA-N
MW3433.70 g/mol
LogP56.93
Rot. Bonds41

About 2,3-dimethylbutan-2-ylbenzene;3,5-dimethyl-4-(3-methylbut-1-en-2-yl)-1,2-oxazole;1,3-dimethyl-5-(2-methylpropyl)pyrazole;4-(3-methylbutyl)morpholine;bis(2-methyl-4-(3-methylbutan-2-yl)-1,3-thiazole);4-methyl-2-(1-methyl-4-propan-2-ylpyrrolidin-3-yl)-1,3-thiazole;1-methyl-4-(2-methylpropyl)imidazole;4-methyl-3-(2-methylpropyl)-1,2-oxazole;3-methyl-4-(2-methylpropyl)-5-phenyl-2H-pyrrole;1-methyl-3-(3-methylthiophen-2-yl)-4-propan-2-ylpyrrolidine;(3S)-1-methyl-3-(4-methylthiophen-2-yl)-4-propan-2-ylpyrrolidine;1-(3-methyl-2-phenylbutyl)piperidine;1-methyl-3-(2-phenylethyl)-4-propan-2-ylpyrrolidine;tris(2-methylpropane);1-methyl-1-propan-2-ylcyclopropane;3-(1-methyl-4-propan-2-ylpyrrolidin-3-yl)pyridine;3-(2-methylpropyl)-1-benzothiophene;1,3,5-trimethyl-4-(2-methylpropyl)pyrazole

2,3-dimethylbutan-2-ylbenzene;3,5-dimethyl-4-(3-methylbut-1-en-2-yl)-1,2-oxazole;1,3-dimethyl-5-(2-methylpropyl)pyrazole;4-(3-methylbutyl)morpholine;bis(2-methyl-4-(3-methylbutan-2-yl)-1,3-thiazole);4-methyl-2-(1-methyl-4-propan-2-ylpyrrolidin-3-yl)-1,3-thiazole;1-methyl-4-(2-methylpropyl)imidazole;4-methyl-3-(2-methylpropyl)-1,2-oxazole;3-methyl-4-(2-methylpropyl)-5-phenyl-2H-pyrrole;1-methyl-3-(3-methylthiophen-2-yl)-4-propan-2-ylpyrrolidine;(3S)-1-methyl-3-(4-methylthiophen-2-yl)-4-propan-2-ylpyrrolidine;1-(3-methyl-2-phenylbutyl)piperidine;1-methyl-3-(2-phenylethyl)-4-propan-2-ylpyrrolidine;tris(2-methylpropane);1-methyl-1-propan-2-ylcyclopropane;3-(1-methyl-4-propan-2-ylpyrrolidin-3-yl)pyridine;3-(2-methylpropyl)-1-benzothiophene;1,3,5-trimethyl-4-(2-methylpropyl)pyrazole (PubChem CID 159444203) has the molecular formula C213H352N20O3S6 and a molecular weight of 3433.70 g/mol. Its IUPAC name is 2,3-dimethylbutan-2-ylbenzene;3,5-dimethyl-4-(3-methylbut-1-en-2-yl)-1,2-oxazole;1,3-dimethyl-5-(2-methylpropyl)pyrazole;4-(3-methylbutyl)morpholine;bis(2-methyl-4-(3-methylbutan-2-yl)-1,3-thiazole);4-methyl-2-(1-methyl-4-propan-2-ylpyrrolidin-3-yl)-1,3-thiazole;1-methyl-4-(2-methylpropyl)imidazole;4-methyl-3-(2-methylpropyl)-1,2-oxazole;3-methyl-4-(2-methylpropyl)-5-phenyl-2H-pyrrole;1-methyl-3-(3-methylthiophen-2-yl)-4-propan-2-ylpyrrolidine;(3S)-1-methyl-3-(4-methylthiophen-2-yl)-4-propan-2-ylpyrrolidine;1-(3-methyl-2-phenylbutyl)piperidine;1-methyl-3-(2-phenylethyl)-4-propan-2-ylpyrrolidine;tris(2-methylpropane);1-methyl-1-propan-2-ylcyclopropane;3-(1-methyl-4-propan-2-ylpyrrolidin-3-yl)pyridine;3-(2-methylpropyl)-1-benzothiophene;1,3,5-trimethyl-4-(2-methylpropyl)pyrazole.

Molecular Properties

Compound Name2,3-dimethylbutan-2-ylbenzene;3,5-dimethyl-4-(3-methylbut-1-en-2-yl)-1,2-oxazole;1,3-dimethyl-5-(2-methylpropyl)pyrazole;4-(3-methylbutyl)morpholine;bis(2-methyl-4-(3-methylbutan-2-yl)-1,3-thiazole);4-methyl-2-(1-methyl-4-propan-2-ylpyrrolidin-3-yl)-1,3-thiazole;1-methyl-4-(2-methylpropyl)imidazole;4-methyl-3-(2-methylpropyl)-1,2-oxazole;3-methyl-4-(2-methylpropyl)-5-phenyl-2H-pyrrole;1-methyl-3-(3-methylthiophen-2-yl)-4-propan-2-ylpyrrolidine;(3S)-1-methyl-3-(4-methylthiophen-2-yl)-4-propan-2-ylpyrrolidine;1-(3-methyl-2-phenylbutyl)piperidine;1-methyl-3-(2-phenylethyl)-4-propan-2-ylpyrrolidine;tris(2-methylpropane);1-methyl-1-propan-2-ylcyclopropane;3-(1-methyl-4-propan-2-ylpyrrolidin-3-yl)pyridine;3-(2-methylpropyl)-1-benzothiophene;1,3,5-trimethyl-4-(2-methylpropyl)pyrazole
PubChem CID159444203
Molecular FormulaC213H352N20O3S6
Molecular Weight3433.70 g/mol
Exact Mass3430.63
IUPAC Name2,3-dimethylbutan-2-ylbenzene;3,5-dimethyl-4-(3-methylbut-1-en-2-yl)-1,2-oxazole;1,3-dimethyl-5-(2-methylpropyl)pyrazole;4-(3-methylbutyl)morpholine;bis(2-methyl-4-(3-methylbutan-2-yl)-1,3-thiazole);4-methyl-2-(1-methyl-4-propan-2-ylpyrrolidin-3-yl)-1,3-thiazole;1-methyl-4-(2-methylpropyl)imidazole;4-methyl-3-(2-methylpropyl)-1,2-oxazole;3-methyl-4-(2-methylpropyl)-5-phenyl-2H-pyrrole;1-methyl-3-(3-methylthiophen-2-yl)-4-propan-2-ylpyrrolidine;(3S)-1-methyl-3-(4-methylthiophen-2-yl)-4-propan-2-ylpyrrolidine;1-(3-methyl-2-phenylbutyl)piperidine;1-methyl-3-(2-phenylethyl)-4-propan-2-ylpyrrolidine;tris(2-methylpropane);1-methyl-1-propan-2-ylcyclopropane;3-(1-methyl-4-propan-2-ylpyrrolidin-3-yl)pyridine;3-(2-methylpropyl)-1-benzothiophene;1,3,5-trimethyl-4-(2-methylpropyl)pyrazole
SMILESC=C(c1c(C)noc1C)C(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C(C)(C)c1ccccc1.CC(C)C(CN1CCCCC1)c1ccccc1.CC(C)C1(C)CC1.CC(C)C1CN(C)CC1CCc1ccccc1.CC(C)C1CN(C)CC1c1cccnc1.CC(C)CCN1CCOCC1.CC(C)Cc1cn(C)cn1.CC(C)Cc1csc2ccccc12.CC1=C(CC(C)C)C(c2ccccc2)=NC1.Cc1cc(CC(C)C)n(C)n1.Cc1ccsc1C1CN(C)CC1C(C)C.Cc1conc1CC(C)C.Cc1csc(C2CN(C)CC2C(C)C)n1.Cc1csc([C@@H]2CN(C)CC2C(C)C)c1.Cc1nc(C(C)C(C)C)cs1.Cc1nc(C(C)C(C)C)cs1.Cc1nn(C)c(C)c1CC(C)C
InChIInChI=1S/2C16H25N.C15H19N.C13H20N2.2C13H21NS.C12H20N2S.C12H14S.C12H18.C10H18N2.C10H15NO.C9H16N2.C9H19NO.2C9H15NS.C8H14N2.C8H13NO.C7H14.3C4H10/c1-13(2)16-12-17(3)11-15(16)10-9-14-7-5-4-6-8-14;1-14(2)16(15-9-5-3-6-10-15)13-17-11-7-4-8-12-17;1-11(2)9-14-12(3)10-16-15(14)13-7-5-4-6-8-13;1-10(2)12-8-15(3)9-13(12)11-5-4-6-14-7-11;1-9(2)11-6-14(4)7-12(11)13-5-10(3)8-15-13;1-9(2)11-7-14(4)8-12(11)13-10(3)5-6-15-13;1-8(2)10-5-14(4)6-11(10)12-13-9(3)7-15-12;1-9(2)7-10-8-13-12-6-4-3-5-11(10)12;1-10(2)12(3,4)11-8-6-5-7-9-11;1-7(2)6-10-8(3)11-12(5)9(10)4;1-6(2)7(3)10-8(4)11-12-9(10)5;1-7(2)5-9-6-8(3)10-11(9)4;1-9(2)3-4-10-5-7-11-8-6-10;2*1-6(2)7(3)9-5-11-8(4)10-9;1-7(2)4-8-5-10(3)6-9-8;1-6(2)4-8-7(3)5-10-9-8;1-6(2)7(3)4-5-7;3*1-4(2)3/h4-8,13,15-16H,9-12H2,1-3H3;3,5-6,9-10,14,16H,4,7-8,11-13H2,1-2H3;4-8,11H,9-10H2,1-3H3;4-7,10,12-13H,8-9H2,1-3H3;5,8-9,11-12H,6-7H2,1-4H3;5-6,9,11-12H,7-8H2,1-4H3;7-8,10-11H,5-6H2,1-4H3;3-6,8-9H,7H2,1-2H3;5-10H,1-4H3;7H,6H2,1-5H3;6H,3H2,1-2,4-5H3;6-7H,5H2,1-4H3;9H,3-8H2,1-2H3;2*5-7H,1-4H3;5-7H,4H2,1-3H3;5-6H,4H2,1-3H3;6H,4-5H2,1-3H3;3*4H,1-3H3/t;;;;11?,12-;;;;;;;;;;;;;;;;/m....1................/s1
InChIKeyLSOGKWLARZMOBT-VUXJBVDMSA-N
XLogP56.93
TPSA201.35 Ų
H-Bond Donors
H-Bond Acceptors29
Rotatable Bonds41
Heavy Atoms242
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003433.70
LogP ≤ 556.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1029

Analyze 2,3-dimethylbutan-2-ylbenzene;3,5-dimethyl-4-(3-methylbut-1-en-2-yl)-1,2-oxazole;1,3-dimethyl-5-(2-methylpropyl)pyrazole;4-(3-methylbutyl)morpholine;bis(2-methyl-4-(3-methylbutan-2-yl)-1,3-thiazole);4-methyl-2-(1-methyl-4-propan-2-ylpyrrolidin-3-yl)-1,3-thiazole;1-methyl-4-(2-methylpropyl)imidazole;4-methyl-3-(2-methylpropyl)-1,2-oxazole;3-methyl-4-(2-methylpropyl)-5-phenyl-2H-pyrrole;1-methyl-3-(3-methylthiophen-2-yl)-4-propan-2-ylpyrrolidine;(3S)-1-methyl-3-(4-methylthiophen-2-yl)-4-propan-2-ylpyrrolidine;1-(3-methyl-2-phenylbutyl)piperidine;1-methyl-3-(2-phenylethyl)-4-propan-2-ylpyrrolidine;tris(2-methylpropane);1-methyl-1-propan-2-ylcyclopropane;3-(1-methyl-4-propan-2-ylpyrrolidin-3-yl)pyridine;3-(2-methylpropyl)-1-benzothiophene;1,3,5-trimethyl-4-(2-methylpropyl)pyrazole with MolForge

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Related Compounds

2-Tert-butyl-5-isocyanopyridine;5-(3,3-dimethylbutyl)-4-methyl-1,3-thiazole;2-(3,3-dimethylbutyl)thiophene;1-(2,2-dimethylpropyl)-3,5-dimethylpyrazole;4-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole;3-(2,2-dimethylpropyl)-1,2-oxazole;3-(2,2-dimethylpropyl)-5-phenyl-1,2,4-oxadiazole;1-(2,2-dimethylpropyl)pyrazole;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine
CID 157258049
Bis(1-benzofuran);bis(1-benzothiophene);2,3-di(propan-2-yl)-1-benzofuran;2,3-di(propan-2-yl)-1-benzothiophene;furan;1-methylimidazole;1-methylindole;(2-methylpropane);1-methylpyrazole;1-methylpyrrole;4-methyl-1,2,4-triazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene
CID 157354680
1-benzyl-5-tert-butylpyridin-2-one;4-tert-butyl-3,5-dimethyl-1,2-oxazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;3,6-dihydro-2H-pyran;pentakis(2,2-dimethylpropane);ethane;2-(2-methylimidazol-1-yl)-1,3-thiazole;1-methylpyrazole;1-phenylpyrazole;4-(2-pyrazol-1-ylethyl)morpholine
CID 157398549
3-Bromo-5-(2,2-dimethylpropyl)-1,2-oxazole;3,3-dimethylbutylcyclopropane;2,2-dimethyl-1-phenylpropan-1-ol;2,2-dimethylpropylcyclopropane;4-(2,2-dimethylpropyl)-1-methylimidazole;5-(2,2-dimethylpropyl)-4-methyl-2-phenyl-1,3-thiazole;3-(2,2-dimethylpropyl)-1-methylpyrrole;bis(4-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole);3-(2,2-dimethylpropyl)-1,2-oxazole;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;3-ethyl-5-phenyl-1,2-oxazole;1,3,5-trimethyl-4-(2-methylpropyl)pyrazole
CID 157826258
3-tert-butyl-1,2-dimethyl-4-(2-methylphenyl)pyrrolidine;4-tert-butyl-1,2-dimethyl-3-(2-methylphenyl)pyrrolidine;8-tert-butyl-5-methyl-7-phenyl-2-oxa-5-azaspiro[3.4]octane;3-tert-butyl-1,2,2-trimethyl-4-(2-methylphenyl)pyrrolidine;4-tert-butyl-1,2,2-trimethyl-3-(2-methylphenyl)pyrrolidine;2,4-dimethyl-3-(3-methylbutan-2-yl)furan;N,N-dimethyl-1-(2-methylpropyl)cyclohexan-1-amine;1-fluoro-3-methylbutane;1-methoxy-3-methylbutane;4-(3-methylbutyl)morpholine;1-methyl-4-(2-methylpropyl)imidazole;4-methyl-3-(2-methylpropyl)-1,2-oxazole;5-methyl-4-(2-methylpropyl)-3-phenyl-1,2-oxazole;(4S)-1-methyl-3-(3-methylthiophen-2-yl)-4-propan-2-ylpyrrolidine;1-methyl-3-(2-phenylethyl)-4-propan-2-ylpyrrolidine;3-[(4S)-1-methyl-4-propan-2-ylpyrrolidin-3-yl]pyridine;1,3,5-trimethyl-4-(2-methylpropyl)pyrazole
CID 158368529
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;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;3-methylpyridine;4-methylpyridine
CID 158645388
2-tert-butyl-4-ethyl-1,3-thiazole;4-tert-butyl-1-methylimidazole;bis(3-tert-butyl-5-methyl-1,2,4-oxadiazole);3-tert-butyl-4-methyl-1,2-oxazole;tetrakis(3-tert-butyl-5-methyl-1,2-oxazole);5-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-1-methylpyrazole;2-tert-butyl-4-methyl-1,3-thiazole;2-tert-butyl-5-methyl-1,3-thiazole;4-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;2-tert-butyl-1,3-thiazole;2-tert-butylthiophene;4-fluoro-2-propan-2-ylpyridine;bis(5-methyl-2-propan-2-ylpyridine);5-methyl-2-propan-2-ylpyrimidine;1-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-4H-imidazole;bis(2-propan-2-ylpyrazine);3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine
CID 159116040
tert-butylbenzene;5-tert-butyl-1,4-dimethylimidazole;3-tert-butyl-1,4-dimethylpyrazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;4-tert-butyl-2,5-dimethyltriazole;5-tert-butyl-2-methyl-1,3-dihydroisoindole;4-tert-butyl-2-methyl-3H-isoindol-1-one;5-tert-butyl-2-methyl-3H-isoindol-1-one;3-tert-butyl-4-methyl-1,2-oxazole;5-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methyltriazole;5-tert-butyl-1-methyltriazole;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;bis(5-tert-butylpyrimidine);bis(4-tert-butyl-1,2,5-trimethylimidazole);4-tert-butyl-1,3,5-trimethylpyrazole;3-tert-butyl-2,4,5-trimethylthiophene;ethane
CID 159170236
2-tert-butyl-4-ethyl-1,3-thiazole;3-tert-butyl-5-(fluoromethyl)-1,2-oxazole;4-tert-butyl-1-methylimidazole;bis(3-tert-butyl-5-methyl-1,2,4-oxadiazole);3-tert-butyl-4-methyl-1,2-oxazole;tris(3-tert-butyl-5-methyl-1,2-oxazole);5-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-1-methylpyrazole;2-tert-butyl-4-methyl-1,3-thiazole;2-tert-butyl-5-methyl-1,3-thiazole;4-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;2-tert-butyl-1,3-thiazole;2-tert-butylthiophene;2-methyl-5-propan-2-ylpyrazine;1-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-4H-imidazole;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine
CID 159221232
4-Tert-butyl-3,5-dimethyl-1,2-oxazole;4-tert-butyl-1,3-dimethylpyrazole;4-tert-butyl-2-(2-methylimidazol-1-yl)-1,3-thiazole;4-tert-butyl-1-methylpyrazole;1-(4-tert-butylphenyl)butan-1-one;(4-tert-butylphenyl)-(4-methylpiperazin-1-yl)methanone;(4-tert-butylphenyl)-morpholin-4-ylmethanone;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine
CID 159274969
2-Tert-butyl-5-isocyanopyridine;5-(3,3-dimethylbutyl)-4-methyl-1,3-thiazole;2-(3,3-dimethylbutyl)thiophene;1-(2,2-dimethylpropyl)-3,5-dimethylpyrazole;4-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole;3-(2,2-dimethylpropyl)-1,2-oxazole;3-(2,2-dimethylpropyl)-5-phenyl-1,2,4-oxadiazole;1-(2,2-dimethylpropyl)pyrazole;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;methane
CID 159445883
3,5-Dimethyl-4-[12-[4-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]-1,2-oxazole;4-(3-methylimidazol-4-yl)-12-[4-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;2-methyl-5-[12-[4-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]-1,3-thiazole;4-(2-methylpyrazol-3-yl)-12-[4-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;4-[12-[4-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]-1,2-oxazole;5-[12-[4-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]-1,3-thiazole
CID 159485440

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbutan-2-ylbenzene;3,5-dimethyl-4-(3-methylbut-1-en-2-yl)-1,2-oxazole;1,3-dimethyl-5-(2-methylpropyl)pyrazole;4-(3-methylbutyl)morpholine;bis(2-methyl-4-(3-methylbutan-2-yl)-1,3-thiazole);4-methyl-2-(1-methyl-4-propan-2-ylpyrrolidin-3-yl)-1,3-thiazole;1-methyl-4-(2-methylpropyl)imidazole;4-methyl-3-(2-methylpropyl)-1,2-oxazole;3-methyl-4-(2-methylpropyl)-5-phenyl-2H-pyrrole;1-methyl-3-(3-methylthiophen-2-yl)-4-propan-2-ylpyrrolidine;(3S)-1-methyl-3-(4-methylthiophen-2-yl)-4-propan-2-ylpyrrolidine;1-(3-methyl-2-phenylbutyl)piperidine;1-methyl-3-(2-phenylethyl)-4-propan-2-ylpyrrolidine;tris(2-methylpropane);1-methyl-1-propan-2-ylcyclopropane;3-(1-methyl-4-propan-2-ylpyrrolidin-3-yl)pyridine;3-(2-methylpropyl)-1-benzothiophene;1,3,5-trimethyl-4-(2-methylpropyl)pyrazole?
The IUPAC name of 2,3-dimethylbutan-2-ylbenzene;3,5-dimethyl-4-(3-methylbut-1-en-2-yl)-1,2-oxazole;1,3-dimethyl-5-(2-methylpropyl)pyrazole;4-(3-methylbutyl)morpholine;bis(2-methyl-4-(3-methylbutan-2-yl)-1,3-thiazole);4-methyl-2-(1-methyl-4-propan-2-ylpyrrolidin-3-yl)-1,3-thiazole;1-methyl-4-(2-methylpropyl)imidazole;4-methyl-3-(2-methylpropyl)-1,2-oxazole;3-methyl-4-(2-methylpropyl)-5-phenyl-2H-pyrrole;1-methyl-3-(3-methylthiophen-2-yl)-4-propan-2-ylpyrrolidine;(3S)-1-methyl-3-(4-methylthiophen-2-yl)-4-propan-2-ylpyrrolidine;1-(3-methyl-2-phenylbutyl)piperidine;1-methyl-3-(2-phenylethyl)-4-propan-2-ylpyrrolidine;tris(2-methylpropane);1-methyl-1-propan-2-ylcyclopropane;3-(1-methyl-4-propan-2-ylpyrrolidin-3-yl)pyridine;3-(2-methylpropyl)-1-benzothiophene;1,3,5-trimethyl-4-(2-methylpropyl)pyrazole (CID 159444203) is 2,3-dimethylbutan-2-ylbenzene;3,5-dimethyl-4-(3-methylbut-1-en-2-yl)-1,2-oxazole;1,3-dimethyl-5-(2-methylpropyl)pyrazole;4-(3-methylbutyl)morpholine;bis(2-methyl-4-(3-methylbutan-2-yl)-1,3-thiazole);4-methyl-2-(1-methyl-4-propan-2-ylpyrrolidin-3-yl)-1,3-thiazole;1-methyl-4-(2-methylpropyl)imidazole;4-methyl-3-(2-methylpropyl)-1,2-oxazole;3-methyl-4-(2-methylpropyl)-5-phenyl-2H-pyrrole;1-methyl-3-(3-methylthiophen-2-yl)-4-propan-2-ylpyrrolidine;(3S)-1-methyl-3-(4-methylthiophen-2-yl)-4-propan-2-ylpyrrolidine;1-(3-methyl-2-phenylbutyl)piperidine;1-methyl-3-(2-phenylethyl)-4-propan-2-ylpyrrolidine;tris(2-methylpropane);1-methyl-1-propan-2-ylcyclopropane;3-(1-methyl-4-propan-2-ylpyrrolidin-3-yl)pyridine;3-(2-methylpropyl)-1-benzothiophene;1,3,5-trimethyl-4-(2-methylpropyl)pyrazole.
What is the SMILES notation for 2,3-dimethylbutan-2-ylbenzene;3,5-dimethyl-4-(3-methylbut-1-en-2-yl)-1,2-oxazole;1,3-dimethyl-5-(2-methylpropyl)pyrazole;4-(3-methylbutyl)morpholine;bis(2-methyl-4-(3-methylbutan-2-yl)-1,3-thiazole);4-methyl-2-(1-methyl-4-propan-2-ylpyrrolidin-3-yl)-1,3-thiazole;1-methyl-4-(2-methylpropyl)imidazole;4-methyl-3-(2-methylpropyl)-1,2-oxazole;3-methyl-4-(2-methylpropyl)-5-phenyl-2H-pyrrole;1-methyl-3-(3-methylthiophen-2-yl)-4-propan-2-ylpyrrolidine;(3S)-1-methyl-3-(4-methylthiophen-2-yl)-4-propan-2-ylpyrrolidine;1-(3-methyl-2-phenylbutyl)piperidine;1-methyl-3-(2-phenylethyl)-4-propan-2-ylpyrrolidine;tris(2-methylpropane);1-methyl-1-propan-2-ylcyclopropane;3-(1-methyl-4-propan-2-ylpyrrolidin-3-yl)pyridine;3-(2-methylpropyl)-1-benzothiophene;1,3,5-trimethyl-4-(2-methylpropyl)pyrazole?
The canonical SMILES for 2,3-dimethylbutan-2-ylbenzene;3,5-dimethyl-4-(3-methylbut-1-en-2-yl)-1,2-oxazole;1,3-dimethyl-5-(2-methylpropyl)pyrazole;4-(3-methylbutyl)morpholine;bis(2-methyl-4-(3-methylbutan-2-yl)-1,3-thiazole);4-methyl-2-(1-methyl-4-propan-2-ylpyrrolidin-3-yl)-1,3-thiazole;1-methyl-4-(2-methylpropyl)imidazole;4-methyl-3-(2-methylpropyl)-1,2-oxazole;3-methyl-4-(2-methylpropyl)-5-phenyl-2H-pyrrole;1-methyl-3-(3-methylthiophen-2-yl)-4-propan-2-ylpyrrolidine;(3S)-1-methyl-3-(4-methylthiophen-2-yl)-4-propan-2-ylpyrrolidine;1-(3-methyl-2-phenylbutyl)piperidine;1-methyl-3-(2-phenylethyl)-4-propan-2-ylpyrrolidine;tris(2-methylpropane);1-methyl-1-propan-2-ylcyclopropane;3-(1-methyl-4-propan-2-ylpyrrolidin-3-yl)pyridine;3-(2-methylpropyl)-1-benzothiophene;1,3,5-trimethyl-4-(2-methylpropyl)pyrazole is C=C(c1c(C)noc1C)C(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C(C)(C)c1ccccc1.CC(C)C(CN1CCCCC1)c1ccccc1.CC(C)C1(C)CC1.CC(C)C1CN(C)CC1CCc1ccccc1.CC(C)C1CN(C)CC1c1cccnc1.CC(C)CCN1CCOCC1.CC(C)Cc1cn(C)cn1.CC(C)Cc1csc2ccccc12.CC1=C(CC(C)C)C(c2ccccc2)=NC1.Cc1cc(CC(C)C)n(C)n1.Cc1ccsc1C1CN(C)CC1C(C)C.Cc1conc1CC(C)C.Cc1csc(C2CN(C)CC2C(C)C)n1.Cc1csc([C@@H]2CN(C)CC2C(C)C)c1.Cc1nc(C(C)C(C)C)cs1.Cc1nc(C(C)C(C)C)cs1.Cc1nn(C)c(C)c1CC(C)C.
What is the InChIKey of 2,3-dimethylbutan-2-ylbenzene;3,5-dimethyl-4-(3-methylbut-1-en-2-yl)-1,2-oxazole;1,3-dimethyl-5-(2-methylpropyl)pyrazole;4-(3-methylbutyl)morpholine;bis(2-methyl-4-(3-methylbutan-2-yl)-1,3-thiazole);4-methyl-2-(1-methyl-4-propan-2-ylpyrrolidin-3-yl)-1,3-thiazole;1-methyl-4-(2-methylpropyl)imidazole;4-methyl-3-(2-methylpropyl)-1,2-oxazole;3-methyl-4-(2-methylpropyl)-5-phenyl-2H-pyrrole;1-methyl-3-(3-methylthiophen-2-yl)-4-propan-2-ylpyrrolidine;(3S)-1-methyl-3-(4-methylthiophen-2-yl)-4-propan-2-ylpyrrolidine;1-(3-methyl-2-phenylbutyl)piperidine;1-methyl-3-(2-phenylethyl)-4-propan-2-ylpyrrolidine;tris(2-methylpropane);1-methyl-1-propan-2-ylcyclopropane;3-(1-methyl-4-propan-2-ylpyrrolidin-3-yl)pyridine;3-(2-methylpropyl)-1-benzothiophene;1,3,5-trimethyl-4-(2-methylpropyl)pyrazole?
The InChIKey is LSOGKWLARZMOBT-VUXJBVDMSA-N. The full InChI is InChI=1S/2C16H25N.C15H19N.C13H20N2.2C13H21NS.C12H20N2S.C12H14S.C12H18.C10H18N2.C10H15NO.C9H16N2.C9H19NO.2C9H15NS.C8H14N2.C8H13NO.C7H14.3C4H10/c1-13(2)16-12-17(3)11-15(16)10-9-14-7-5-4-6-8-14;1-14(2)16(15-9-5-3-6-10-15)13-17-11-7-4-8-12-17;1-11(2)9-14-12(3)10-16-15(14)13-7-5-4-6-8-13;1-10(2)12-8-15(3)9-13(12)11-5-4-6-14-7-11;1-9(2)11-6-14(4)7-12(11)13-5-10(3)8-15-13;1-9(2)11-7-14(4)8-12(11)13-10(3)5-6-15-13;1-8(2)10-5-14(4)6-11(10)12-13-9(3)7-15-12;1-9(2)7-10-8-13-12-6-4-3-5-11(10)12;1-10(2)12(3,4)11-8-6-5-7-9-11;1-7(2)6-10-8(3)11-12(5)9(10)4;1-6(2)7(3)10-8(4)11-12-9(10)5;1-7(2)5-9-6-8(3)10-11(9)4;1-9(2)3-4-10-5-7-11-8-6-10;2*1-6(2)7(3)9-5-11-8(4)10-9;1-7(2)4-8-5-10(3)6-9-8;1-6(2)4-8-7(3)5-10-9-8;1-6(2)7(3)4-5-7;3*1-4(2)3/h4-8,13,15-16H,9-12H2,1-3H3;3,5-6,9-10,14,16H,4,7-8,11-13H2,1-2H3;4-8,11H,9-10H2,1-3H3;4-7,10,12-13H,8-9H2,1-3H3;5,8-9,11-12H,6-7H2,1-4H3;5-6,9,11-12H,7-8H2,1-4H3;7-8,10-11H,5-6H2,1-4H3;3-6,8-9H,7H2,1-2H3;5-10H,1-4H3;7H,6H2,1-5H3;6H,3H2,1-2,4-5H3;6-7H,5H2,1-4H3;9H,3-8H2,1-2H3;2*5-7H,1-4H3;5-7H,4H2,1-3H3;5-6H,4H2,1-3H3;6H,4-5H2,1-3H3;3*4H,1-3H3/t;;;;11?,12-;;;;;;;;;;;;;;;;/m....1................/s1.
What are the key properties of 2,3-dimethylbutan-2-ylbenzene;3,5-dimethyl-4-(3-methylbut-1-en-2-yl)-1,2-oxazole;1,3-dimethyl-5-(2-methylpropyl)pyrazole;4-(3-methylbutyl)morpholine;bis(2-methyl-4-(3-methylbutan-2-yl)-1,3-thiazole);4-methyl-2-(1-methyl-4-propan-2-ylpyrrolidin-3-yl)-1,3-thiazole;1-methyl-4-(2-methylpropyl)imidazole;4-methyl-3-(2-methylpropyl)-1,2-oxazole;3-methyl-4-(2-methylpropyl)-5-phenyl-2H-pyrrole;1-methyl-3-(3-methylthiophen-2-yl)-4-propan-2-ylpyrrolidine;(3S)-1-methyl-3-(4-methylthiophen-2-yl)-4-propan-2-ylpyrrolidine;1-(3-methyl-2-phenylbutyl)piperidine;1-methyl-3-(2-phenylethyl)-4-propan-2-ylpyrrolidine;tris(2-methylpropane);1-methyl-1-propan-2-ylcyclopropane;3-(1-methyl-4-propan-2-ylpyrrolidin-3-yl)pyridine;3-(2-methylpropyl)-1-benzothiophene;1,3,5-trimethyl-4-(2-methylpropyl)pyrazole?
2,3-dimethylbutan-2-ylbenzene;3,5-dimethyl-4-(3-methylbut-1-en-2-yl)-1,2-oxazole;1,3-dimethyl-5-(2-methylpropyl)pyrazole;4-(3-methylbutyl)morpholine;bis(2-methyl-4-(3-methylbutan-2-yl)-1,3-thiazole);4-methyl-2-(1-methyl-4-propan-2-ylpyrrolidin-3-yl)-1,3-thiazole;1-methyl-4-(2-methylpropyl)imidazole;4-methyl-3-(2-methylpropyl)-1,2-oxazole;3-methyl-4-(2-methylpropyl)-5-phenyl-2H-pyrrole;1-methyl-3-(3-methylthiophen-2-yl)-4-propan-2-ylpyrrolidine;(3S)-1-methyl-3-(4-methylthiophen-2-yl)-4-propan-2-ylpyrrolidine;1-(3-methyl-2-phenylbutyl)piperidine;1-methyl-3-(2-phenylethyl)-4-propan-2-ylpyrrolidine;tris(2-methylpropane);1-methyl-1-propan-2-ylcyclopropane;3-(1-methyl-4-propan-2-ylpyrrolidin-3-yl)pyridine;3-(2-methylpropyl)-1-benzothiophene;1,3,5-trimethyl-4-(2-methylpropyl)pyrazole has a molecular weight of 3433.70 g/mol, XLogP of 56.93, 41 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbutan-2-ylbenzene;3,5-dimethyl-4-(3-methylbut-1-en-2-yl)-1,2-oxazole;1,3-dimethyl-5-(2-methylpropyl)pyrazole;4-(3-methylbutyl)morpholine;bis(2-methyl-4-(3-methylbutan-2-yl)-1,3-thiazole);4-methyl-2-(1-methyl-4-propan-2-ylpyrrolidin-3-yl)-1,3-thiazole;1-methyl-4-(2-methylpropyl)imidazole;4-methyl-3-(2-methylpropyl)-1,2-oxazole;3-methyl-4-(2-methylpropyl)-5-phenyl-2H-pyrrole;1-methyl-3-(3-methylthiophen-2-yl)-4-propan-2-ylpyrrolidine;(3S)-1-methyl-3-(4-methylthiophen-2-yl)-4-propan-2-ylpyrrolidine;1-(3-methyl-2-phenylbutyl)piperidine;1-methyl-3-(2-phenylethyl)-4-propan-2-ylpyrrolidine;tris(2-methylpropane);1-methyl-1-propan-2-ylcyclopropane;3-(1-methyl-4-propan-2-ylpyrrolidin-3-yl)pyridine;3-(2-methylpropyl)-1-benzothiophene;1,3,5-trimethyl-4-(2-methylpropyl)pyrazole is sourced from PubChem (CID 159444203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).