1-hex-1-en-2-yl-3-propan-2-ylbenzene;methane;4-(4-methylpiperazin-1-yl)-2-propan-2-ylpyrimidine;5-[3-(1,3-oxazol-5-yl)-5-propan-2-ylphenyl]-1,3-oxazole;bis(2-phenyl-5-propan-2-yl-1,3,4-oxadiazole);2-phenyl-5-propan-2-yl-1,3,4-thiadiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;4-piperazin-1-yl-2-propan-2-ylpyrimidine;(3-propan-2-ylphenyl)methanamine;N'-[(4-propan-2-ylphenyl)methyl]ethanimidamide;1-[(3-propan-2-ylphenyl)methyl]piperazine;N-[(4-propan-2-ylphenyl)methyl]prop-1-en-2-amine;N'-[[5-(3-propan-2-ylphenyl)-1,3-oxazol-2-yl]methyl]ethanimidamide;2-propan-2-yl-5-pyridin-2-yl-1,3,4-oxadiazole;1,2,3-tri(propan-2-yl)benzene

C192H271N29O6S2 — CID 162047618

IUPAC1-hex-1-en-2-yl-3-propan-2-ylbenzene;methane;4-(4-methylpiperazin-1-yl)-2-propan-2-ylpyrimidine;5-[3-(1,3-oxazol-5-yl)-5-propan-2-ylphenyl]-1,3-oxazole;bis(2-phenyl-5-propan-2-yl-1,3,4-oxadiazole);2-phenyl-5-propan-2-yl-1,3,4-thiadiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;4-piperazin-1-yl-2-propan-2-ylpyrimidine;(3-propan-2-ylphenyl)methanamine;N'-[(4-propan-2-ylphenyl)methyl]ethanimidamide;1-[(3-propan-2-ylphenyl)methyl]piperazine;N-[(4-propan-2-ylphenyl)methyl]prop-1-en-2-amine;N'-[[5-(3-propan-2-ylphenyl)-1,3-oxazol-2-yl]methyl]ethanimidamide;2-propan-2-yl-5-pyridin-2-yl-1,3,4-oxadiazole;1,2,3-tri(propan-2-yl)benzene
SMILESC.C.C.C.C.C/C(N)=N\Cc1ccc(C(C)C)cc1.C/C(N)=N\Cc1ncc(-c2cccc(C(C)C)c2)o1.C=C(C)NCc1ccc(C(C)C)cc1.C=C(CCCC)c1cccc(C(C)C)c1.CC(C)c1cc(-c2cnco2)cc(-c2cnco2)c1.CC(C)c1cccc(C(C)C)c1C(C)C.CC(C)c1cccc(CN)c1.CC(C)c1cccc(CN2CCNCC2)c1.CC(C)c1ncc(-c2ccccc2)s1.CC(C)c1nccc(N2CCN(C)CC2)n1.CC(C)c1nccc(N2CCNCC2)n1.CC(C)c1nnc(-c2ccccc2)o1.CC(C)c1nnc(-c2ccccc2)o1.CC(C)c1nnc(-c2ccccc2)s1.CC(C)c1nnc(-c2ccccn2)o1
InChIInChI=1S/C15H19N3O.C15H14N2O2.C15H24.C15H22.C14H22N2.C13H19N.C12H20N4.C12H18N2.C12H13NS.C11H18N4.2C11H12N2O.C11H12N2S.C10H11N3O.C10H15N.5CH4/c1-10(2)12-5-4-6-13(7-12)14-8-18-15(19-14)9-17-11(3)16;1-10(2)11-3-12(14-6-16-8-18-14)5-13(4-11)15-7-17-9-19-15;1-10(2)13-8-7-9-14(11(3)4)15(13)12(5)6;1-5-6-8-13(4)15-10-7-9-14(11-15)12(2)3;1-12(2)14-5-3-4-13(10-14)11-16-8-6-15-7-9-16;1-10(2)13-7-5-12(6-8-13)9-14-11(3)4;1-10(2)12-13-5-4-11(14-12)16-8-6-15(3)7-9-16;1-9(2)12-6-4-11(5-7-12)8-14-10(3)13;1-9(2)12-13-8-11(14-12)10-6-4-3-5-7-10;1-9(2)11-13-4-3-10(14-11)15-7-5-12-6-8-15;3*1-8(2)10-12-13-11(14-10)9-6-4-3-5-7-9;1-7(2)9-12-13-10(14-9)8-5-3-4-6-11-8;1-8(2)10-5-3-4-9(6-10)7-11;;;;;/h4-8,10H,9H2,1-3H3,(H2,16,17);3-10H,1-2H3;7-12H,1-6H3;7,9-12H,4-6,8H2,1-3H3;3-5,10,12,15H,6-9,11H2,1-2H3;5-8,10,14H,3,9H2,1-2,4H3;4-5,10H,6-9H2,1-3H3;4-7,9H,8H2,1-3H3,(H2,13,14);3-9H,1-2H3;3-4,9,12H,5-8H2,1-2H3;3*3-8H,1-2H3;3-7H,1-2H3;3-6,8H,7,11H2,1-2H3;5*1H4
InChIKeyYYCLAIUMFLUQMZ-UHFFFAOYSA-N
MW3145.61 g/mol
LogP48.92
Rot. Bonds41

About 1-hex-1-en-2-yl-3-propan-2-ylbenzene;methane;4-(4-methylpiperazin-1-yl)-2-propan-2-ylpyrimidine;5-[3-(1,3-oxazol-5-yl)-5-propan-2-ylphenyl]-1,3-oxazole;bis(2-phenyl-5-propan-2-yl-1,3,4-oxadiazole);2-phenyl-5-propan-2-yl-1,3,4-thiadiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;4-piperazin-1-yl-2-propan-2-ylpyrimidine;(3-propan-2-ylphenyl)methanamine;N'-[(4-propan-2-ylphenyl)methyl]ethanimidamide;1-[(3-propan-2-ylphenyl)methyl]piperazine;N-[(4-propan-2-ylphenyl)methyl]prop-1-en-2-amine;N'-[[5-(3-propan-2-ylphenyl)-1,3-oxazol-2-yl]methyl]ethanimidamide;2-propan-2-yl-5-pyridin-2-yl-1,3,4-oxadiazole;1,2,3-tri(propan-2-yl)benzene

1-hex-1-en-2-yl-3-propan-2-ylbenzene;methane;4-(4-methylpiperazin-1-yl)-2-propan-2-ylpyrimidine;5-[3-(1,3-oxazol-5-yl)-5-propan-2-ylphenyl]-1,3-oxazole;bis(2-phenyl-5-propan-2-yl-1,3,4-oxadiazole);2-phenyl-5-propan-2-yl-1,3,4-thiadiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;4-piperazin-1-yl-2-propan-2-ylpyrimidine;(3-propan-2-ylphenyl)methanamine;N'-[(4-propan-2-ylphenyl)methyl]ethanimidamide;1-[(3-propan-2-ylphenyl)methyl]piperazine;N-[(4-propan-2-ylphenyl)methyl]prop-1-en-2-amine;N'-[[5-(3-propan-2-ylphenyl)-1,3-oxazol-2-yl]methyl]ethanimidamide;2-propan-2-yl-5-pyridin-2-yl-1,3,4-oxadiazole;1,2,3-tri(propan-2-yl)benzene (PubChem CID 162047618) has the molecular formula C192H271N29O6S2 and a molecular weight of 3145.61 g/mol. Its IUPAC name is 1-hex-1-en-2-yl-3-propan-2-ylbenzene;methane;4-(4-methylpiperazin-1-yl)-2-propan-2-ylpyrimidine;5-[3-(1,3-oxazol-5-yl)-5-propan-2-ylphenyl]-1,3-oxazole;bis(2-phenyl-5-propan-2-yl-1,3,4-oxadiazole);2-phenyl-5-propan-2-yl-1,3,4-thiadiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;4-piperazin-1-yl-2-propan-2-ylpyrimidine;(3-propan-2-ylphenyl)methanamine;N'-[(4-propan-2-ylphenyl)methyl]ethanimidamide;1-[(3-propan-2-ylphenyl)methyl]piperazine;N-[(4-propan-2-ylphenyl)methyl]prop-1-en-2-amine;N'-[[5-(3-propan-2-ylphenyl)-1,3-oxazol-2-yl]methyl]ethanimidamide;2-propan-2-yl-5-pyridin-2-yl-1,3,4-oxadiazole;1,2,3-tri(propan-2-yl)benzene.

Molecular Properties

Compound Name1-hex-1-en-2-yl-3-propan-2-ylbenzene;methane;4-(4-methylpiperazin-1-yl)-2-propan-2-ylpyrimidine;5-[3-(1,3-oxazol-5-yl)-5-propan-2-ylphenyl]-1,3-oxazole;bis(2-phenyl-5-propan-2-yl-1,3,4-oxadiazole);2-phenyl-5-propan-2-yl-1,3,4-thiadiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;4-piperazin-1-yl-2-propan-2-ylpyrimidine;(3-propan-2-ylphenyl)methanamine;N'-[(4-propan-2-ylphenyl)methyl]ethanimidamide;1-[(3-propan-2-ylphenyl)methyl]piperazine;N-[(4-propan-2-ylphenyl)methyl]prop-1-en-2-amine;N'-[[5-(3-propan-2-ylphenyl)-1,3-oxazol-2-yl]methyl]ethanimidamide;2-propan-2-yl-5-pyridin-2-yl-1,3,4-oxadiazole;1,2,3-tri(propan-2-yl)benzene
PubChem CID162047618
Molecular FormulaC192H271N29O6S2
Molecular Weight3145.61 g/mol
Exact Mass3143.12
IUPAC Name1-hex-1-en-2-yl-3-propan-2-ylbenzene;methane;4-(4-methylpiperazin-1-yl)-2-propan-2-ylpyrimidine;5-[3-(1,3-oxazol-5-yl)-5-propan-2-ylphenyl]-1,3-oxazole;bis(2-phenyl-5-propan-2-yl-1,3,4-oxadiazole);2-phenyl-5-propan-2-yl-1,3,4-thiadiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;4-piperazin-1-yl-2-propan-2-ylpyrimidine;(3-propan-2-ylphenyl)methanamine;N'-[(4-propan-2-ylphenyl)methyl]ethanimidamide;1-[(3-propan-2-ylphenyl)methyl]piperazine;N-[(4-propan-2-ylphenyl)methyl]prop-1-en-2-amine;N'-[[5-(3-propan-2-ylphenyl)-1,3-oxazol-2-yl]methyl]ethanimidamide;2-propan-2-yl-5-pyridin-2-yl-1,3,4-oxadiazole;1,2,3-tri(propan-2-yl)benzene
SMILESC.C.C.C.C.C/C(N)=N\Cc1ccc(C(C)C)cc1.C/C(N)=N\Cc1ncc(-c2cccc(C(C)C)c2)o1.C=C(C)NCc1ccc(C(C)C)cc1.C=C(CCCC)c1cccc(C(C)C)c1.CC(C)c1cc(-c2cnco2)cc(-c2cnco2)c1.CC(C)c1cccc(C(C)C)c1C(C)C.CC(C)c1cccc(CN)c1.CC(C)c1cccc(CN2CCNCC2)c1.CC(C)c1ncc(-c2ccccc2)s1.CC(C)c1nccc(N2CCN(C)CC2)n1.CC(C)c1nccc(N2CCNCC2)n1.CC(C)c1nnc(-c2ccccc2)o1.CC(C)c1nnc(-c2ccccc2)o1.CC(C)c1nnc(-c2ccccc2)s1.CC(C)c1nnc(-c2ccccn2)o1
InChIInChI=1S/C15H19N3O.C15H14N2O2.C15H24.C15H22.C14H22N2.C13H19N.C12H20N4.C12H18N2.C12H13NS.C11H18N4.2C11H12N2O.C11H12N2S.C10H11N3O.C10H15N.5CH4/c1-10(2)12-5-4-6-13(7-12)14-8-18-15(19-14)9-17-11(3)16;1-10(2)11-3-12(14-6-16-8-18-14)5-13(4-11)15-7-17-9-19-15;1-10(2)13-8-7-9-14(11(3)4)15(13)12(5)6;1-5-6-8-13(4)15-10-7-9-14(11-15)12(2)3;1-12(2)14-5-3-4-13(10-14)11-16-8-6-15-7-9-16;1-10(2)13-7-5-12(6-8-13)9-14-11(3)4;1-10(2)12-13-5-4-11(14-12)16-8-6-15(3)7-9-16;1-9(2)12-6-4-11(5-7-12)8-14-10(3)13;1-9(2)12-13-8-11(14-12)10-6-4-3-5-7-10;1-9(2)11-13-4-3-10(14-11)15-7-5-12-6-8-15;3*1-8(2)10-12-13-11(14-10)9-6-4-3-5-7-9;1-7(2)9-12-13-10(14-9)8-5-3-4-6-11-8;1-8(2)10-5-3-4-9(6-10)7-11;;;;;/h4-8,10H,9H2,1-3H3,(H2,16,17);3-10H,1-2H3;7-12H,1-6H3;7,9-12H,4-6,8H2,1-3H3;3-5,10,12,15H,6-9,11H2,1-2H3;5-8,10,14H,3,9H2,1-2,4H3;4-5,10H,6-9H2,1-3H3;4-7,9H,8H2,1-3H3,(H2,13,14);3-9H,1-2H3;3-4,9,12H,5-8H2,1-2H3;3*3-8H,1-2H3;3-7H,1-2H3;3-6,8H,7,11H2,1-2H3;5*1H4
InChIKeyYYCLAIUMFLUQMZ-UHFFFAOYSA-N
XLogP48.92
TPSA449.80 Ų
H-Bond Donors6
H-Bond Acceptors35
Rotatable Bonds41
Heavy Atoms229
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003145.61
LogP ≤ 548.92
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-hex-1-en-2-yl-3-propan-2-ylbenzene;methane;4-(4-methylpiperazin-1-yl)-2-propan-2-ylpyrimidine;5-[3-(1,3-oxazol-5-yl)-5-propan-2-ylphenyl]-1,3-oxazole;bis(2-phenyl-5-propan-2-yl-1,3,4-oxadiazole);2-phenyl-5-propan-2-yl-1,3,4-thiadiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;4-piperazin-1-yl-2-propan-2-ylpyrimidine;(3-propan-2-ylphenyl)methanamine;N'-[(4-propan-2-ylphenyl)methyl]ethanimidamide;1-[(3-propan-2-ylphenyl)methyl]piperazine;N-[(4-propan-2-ylphenyl)methyl]prop-1-en-2-amine;N'-[[5-(3-propan-2-ylphenyl)-1,3-oxazol-2-yl]methyl]ethanimidamide;2-propan-2-yl-5-pyridin-2-yl-1,3,4-oxadiazole;1,2,3-tri(propan-2-yl)benzene with MolForge

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Related Compounds

N-[(3S)-5,5-dimethylpiperidin-3-yl]-4-[5-(1,3-thiazol-2-yl)-3H-inden-1-yl]-5-(trifluoromethyl)pyrimidin-2-amine;4-[5-(1,3-oxazol-2-yl)-3H-inden-1-yl]-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine;4-[5-(1,3-oxazol-5-yl)-3H-inden-1-yl]-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine
CID 163941427
CID 167627776
CID 167627776
2,5-Dimethylfuran;2,5-dimethyl-1,3-oxazole;2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,6-dimethylpyridine;2,5-dimethyl-1,3-thiazole;2,5-dimethylthiophene;bis(1,2,3,4,5-pentamethylpyrrole);1,2,3,4-tetramethylbenzene;1,2,4,5-tetramethylbenzene;2,3,4,5-tetramethylfuran;1,2,4,5-tetramethylimidazole;1,2,3,5-tetramethylpyrrole;2,3,4,5-tetramethylthiophene;1,2,4-trimethylbenzene;1,3,5-trimethylbenzene;2,3,5-trimethylfuran;1,2,5-trimethylimidazole;2,4,5-trimethyl-1,3-oxazole;2,3,5-trimethyl-4-phenylfuran;2,3,5-trimethylpyrazine;3,4,6-trimethylpyridazine;2,4,5-trimethylpyridine;2,4,6-trimethylpyridine;1,2,5-trimethylpyrrole;2,4,5-trimethyl-1,3-thiazole;bis(2,3,5-trimethylthiophene);1,3-xylene;1,4-xylene
CID 157088584
cumene;1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;2-propan-2-ylfuran;3-propan-2-ylfuran;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;6-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 157298778
bis(5-cyclopenta-1,4-dien-1-yl-2-methyl-1,3-oxazole);5-(furan-2-yl)-2-methyl-1,3-oxazole;methane;2-methyl-5-(1-methylpyrrol-2-yl)-1,3-oxazole;(Z)-2-[1-(2-methyl-1,3-oxazol-5-yl)ethylideneamino]ethenamine;2-(2-methyl-1,3-oxazol-5-yl)-1,3,4-oxadiazole;2-methyl-5-(1,3-oxazol-2-yl)-1,3-oxazole;2-methyl-5-(1,3-oxazol-5-yl)-1,3-oxazole;tris(2-methyl-5-phenyl-1,3-oxazole);2-methyl-5-pyrazin-2-yl-1,3-oxazole;tris(2-methyl-5-pyridin-2-yl-1,3-oxazole);2-methyl-5-pyrimidin-2-yl-1,3-oxazole;2-methyl-5-(1,3-thiazol-2-yl)-1,3-oxazole;2-methyl-5-thiophen-2-yl-1,3-oxazole
CID 157628141
2-[4-[3,5-Bis[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine;2-[2-[3,5-bis[5-(3-phenylimidazo[4,5-b]pyridin-2-yl)pyrimidin-2-yl]phenyl]pyrimidin-5-yl]-3-phenylimidazo[4,5-b]pyridine;2-[4-[3,5-bis[4-([1,3]tellurazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]tellurazolo[5,4-b]pyridine;2-[4-[3,5-bis[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[5,4-b]pyridine;2-[2-(1,2-dihydro-[1,3]oxazolo[5,4-b]pyridin-2-yl)-4,5-bis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine;3-phenyl-2-[2-(3-phenyl-1,2-dihydroimidazo[4,5-b]pyridin-2-yl)-4,5-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridine
CID 157741828
4-(4-Methylpiperazin-1-yl)-2-propan-2-ylpyrimidine;5-[3-(1,3-oxazol-5-yl)-5-propan-2-ylphenyl]-1,3-oxazole;2-phenyl-5-propan-2-yl-1,3,4-oxadiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;4-piperazin-1-yl-2-propan-2-ylpyrimidine;(3-propan-2-ylphenyl)methanamine;1-[(3-propan-2-ylphenyl)methyl]piperazine;1-(3-propan-2-ylphenyl)pentan-1-one;2-propan-2-yl-5-pyridin-4-yl-1,3,4-thiadiazole
CID 157820864
1-[4-(dimethylamino)piperidin-1-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-(3-fluorobutyl)cyclohexyl]-2-[8-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-(3-fluorobutyl)cyclohexyl]-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[(3R,4S)-3-fluoro-4-methylpiperidin-1-yl]-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[(3S,4S)-3-fluoro-4-(propan-2-ylamino)piperidin-1-yl]-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[4-[2-fluoropropyl(methyl)amino]piperidin-1-yl]-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-(2-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-(2-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone
CID 157840406
CID 157853447
CID 157853447
2-[6-(5-chloro-1,3-thiazol-2-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-(2-methyl-1,3-dihydroisoindol-5-yl)-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(4-methyl-1,3-thiazol-2-yl)isoquinolin-3-yl]ethanone;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(5-methyl-1,3-thiazol-2-yl)isoquinolin-3-yl]ethanone;2-[3-[2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-oxoethyl]isoquinolin-6-yl]-1,3-thiazole-5-carboxamide;2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 157935310
5-[4-[4-Phenyl-5-[4-(6-pyridin-3-yl-3-pyridinyl)naphthalen-1-yl]-1,2,4-triazol-3-yl]naphthalen-1-yl]-2-pyridin-3-ylpyridine;2-(6-pyridin-3-yl-3-pyridinyl)-5-[3-[5-(6-pyridin-3-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-(6-pyridin-3-yl-3-pyridinyl)-5-[3-[2-(6-pyridin-3-yl-3-pyridinyl)-1,3-oxazol-5-yl]phenyl]-1,3-oxazole;5-(6-pyridin-3-yl-3-pyridinyl)-2-[3-[5-(6-pyridin-3-yl-3-pyridinyl)-1,3-oxazol-2-yl]phenyl]-1,3-oxazole;2-(6-pyridin-3-yl-3-pyridinyl)-5-[3-[5-(6-pyridin-3-yl-3-pyridinyl)-1,3,4-thiadiazol-2-yl]phenyl]-1,3,4-thiadiazole
CID 158064961
1,3-Di(propan-2-yl)azetidine;1,3-di(propan-2-yl)bicyclo[1.1.1]pentane;1,3-di(propan-2-yl)cyclohexane;1,4-di(propan-2-yl)cyclohexane;1,1-di(propan-2-yl)cyclopentane;2,5-di(propan-2-yl)furan;2,4-di(propan-2-yl)-1,3-oxazole;2,5-di(propan-2-yl)-1,3-oxazole;1,4-di(propan-2-yl)piperazine;1,3-di(propan-2-yl)piperidine;bis(1,4-di(propan-2-yl)piperidine);1,4-di(propan-2-yl)pyrazole;3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);2,5-di(propan-2-yl)pyrimidine;1,2-di(propan-2-yl)pyrrolidine;bis(1,3-di(propan-2-yl)pyrrolidine);2,4-di(propan-2-yl)pyrrolidine;bis(2,4-di(propan-2-yl)-1,3-thiazole);2,5-di(propan-2-yl)-1,3-thiazole;2,4-di(propan-2-yl)thiophene;2,5-di(propan-2-yl)thiophene;ethane
CID 158252478

Frequently Asked Questions

What is the IUPAC name of 1-hex-1-en-2-yl-3-propan-2-ylbenzene;methane;4-(4-methylpiperazin-1-yl)-2-propan-2-ylpyrimidine;5-[3-(1,3-oxazol-5-yl)-5-propan-2-ylphenyl]-1,3-oxazole;bis(2-phenyl-5-propan-2-yl-1,3,4-oxadiazole);2-phenyl-5-propan-2-yl-1,3,4-thiadiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;4-piperazin-1-yl-2-propan-2-ylpyrimidine;(3-propan-2-ylphenyl)methanamine;N'-[(4-propan-2-ylphenyl)methyl]ethanimidamide;1-[(3-propan-2-ylphenyl)methyl]piperazine;N-[(4-propan-2-ylphenyl)methyl]prop-1-en-2-amine;N'-[[5-(3-propan-2-ylphenyl)-1,3-oxazol-2-yl]methyl]ethanimidamide;2-propan-2-yl-5-pyridin-2-yl-1,3,4-oxadiazole;1,2,3-tri(propan-2-yl)benzene?
The IUPAC name of 1-hex-1-en-2-yl-3-propan-2-ylbenzene;methane;4-(4-methylpiperazin-1-yl)-2-propan-2-ylpyrimidine;5-[3-(1,3-oxazol-5-yl)-5-propan-2-ylphenyl]-1,3-oxazole;bis(2-phenyl-5-propan-2-yl-1,3,4-oxadiazole);2-phenyl-5-propan-2-yl-1,3,4-thiadiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;4-piperazin-1-yl-2-propan-2-ylpyrimidine;(3-propan-2-ylphenyl)methanamine;N'-[(4-propan-2-ylphenyl)methyl]ethanimidamide;1-[(3-propan-2-ylphenyl)methyl]piperazine;N-[(4-propan-2-ylphenyl)methyl]prop-1-en-2-amine;N'-[[5-(3-propan-2-ylphenyl)-1,3-oxazol-2-yl]methyl]ethanimidamide;2-propan-2-yl-5-pyridin-2-yl-1,3,4-oxadiazole;1,2,3-tri(propan-2-yl)benzene (CID 162047618) is 1-hex-1-en-2-yl-3-propan-2-ylbenzene;methane;4-(4-methylpiperazin-1-yl)-2-propan-2-ylpyrimidine;5-[3-(1,3-oxazol-5-yl)-5-propan-2-ylphenyl]-1,3-oxazole;bis(2-phenyl-5-propan-2-yl-1,3,4-oxadiazole);2-phenyl-5-propan-2-yl-1,3,4-thiadiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;4-piperazin-1-yl-2-propan-2-ylpyrimidine;(3-propan-2-ylphenyl)methanamine;N'-[(4-propan-2-ylphenyl)methyl]ethanimidamide;1-[(3-propan-2-ylphenyl)methyl]piperazine;N-[(4-propan-2-ylphenyl)methyl]prop-1-en-2-amine;N'-[[5-(3-propan-2-ylphenyl)-1,3-oxazol-2-yl]methyl]ethanimidamide;2-propan-2-yl-5-pyridin-2-yl-1,3,4-oxadiazole;1,2,3-tri(propan-2-yl)benzene.
What is the SMILES notation for 1-hex-1-en-2-yl-3-propan-2-ylbenzene;methane;4-(4-methylpiperazin-1-yl)-2-propan-2-ylpyrimidine;5-[3-(1,3-oxazol-5-yl)-5-propan-2-ylphenyl]-1,3-oxazole;bis(2-phenyl-5-propan-2-yl-1,3,4-oxadiazole);2-phenyl-5-propan-2-yl-1,3,4-thiadiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;4-piperazin-1-yl-2-propan-2-ylpyrimidine;(3-propan-2-ylphenyl)methanamine;N'-[(4-propan-2-ylphenyl)methyl]ethanimidamide;1-[(3-propan-2-ylphenyl)methyl]piperazine;N-[(4-propan-2-ylphenyl)methyl]prop-1-en-2-amine;N'-[[5-(3-propan-2-ylphenyl)-1,3-oxazol-2-yl]methyl]ethanimidamide;2-propan-2-yl-5-pyridin-2-yl-1,3,4-oxadiazole;1,2,3-tri(propan-2-yl)benzene?
The canonical SMILES for 1-hex-1-en-2-yl-3-propan-2-ylbenzene;methane;4-(4-methylpiperazin-1-yl)-2-propan-2-ylpyrimidine;5-[3-(1,3-oxazol-5-yl)-5-propan-2-ylphenyl]-1,3-oxazole;bis(2-phenyl-5-propan-2-yl-1,3,4-oxadiazole);2-phenyl-5-propan-2-yl-1,3,4-thiadiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;4-piperazin-1-yl-2-propan-2-ylpyrimidine;(3-propan-2-ylphenyl)methanamine;N'-[(4-propan-2-ylphenyl)methyl]ethanimidamide;1-[(3-propan-2-ylphenyl)methyl]piperazine;N-[(4-propan-2-ylphenyl)methyl]prop-1-en-2-amine;N'-[[5-(3-propan-2-ylphenyl)-1,3-oxazol-2-yl]methyl]ethanimidamide;2-propan-2-yl-5-pyridin-2-yl-1,3,4-oxadiazole;1,2,3-tri(propan-2-yl)benzene is C.C.C.C.C.C/C(N)=N\Cc1ccc(C(C)C)cc1.C/C(N)=N\Cc1ncc(-c2cccc(C(C)C)c2)o1.C=C(C)NCc1ccc(C(C)C)cc1.C=C(CCCC)c1cccc(C(C)C)c1.CC(C)c1cc(-c2cnco2)cc(-c2cnco2)c1.CC(C)c1cccc(C(C)C)c1C(C)C.CC(C)c1cccc(CN)c1.CC(C)c1cccc(CN2CCNCC2)c1.CC(C)c1ncc(-c2ccccc2)s1.CC(C)c1nccc(N2CCN(C)CC2)n1.CC(C)c1nccc(N2CCNCC2)n1.CC(C)c1nnc(-c2ccccc2)o1.CC(C)c1nnc(-c2ccccc2)o1.CC(C)c1nnc(-c2ccccc2)s1.CC(C)c1nnc(-c2ccccn2)o1.
What is the InChIKey of 1-hex-1-en-2-yl-3-propan-2-ylbenzene;methane;4-(4-methylpiperazin-1-yl)-2-propan-2-ylpyrimidine;5-[3-(1,3-oxazol-5-yl)-5-propan-2-ylphenyl]-1,3-oxazole;bis(2-phenyl-5-propan-2-yl-1,3,4-oxadiazole);2-phenyl-5-propan-2-yl-1,3,4-thiadiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;4-piperazin-1-yl-2-propan-2-ylpyrimidine;(3-propan-2-ylphenyl)methanamine;N'-[(4-propan-2-ylphenyl)methyl]ethanimidamide;1-[(3-propan-2-ylphenyl)methyl]piperazine;N-[(4-propan-2-ylphenyl)methyl]prop-1-en-2-amine;N'-[[5-(3-propan-2-ylphenyl)-1,3-oxazol-2-yl]methyl]ethanimidamide;2-propan-2-yl-5-pyridin-2-yl-1,3,4-oxadiazole;1,2,3-tri(propan-2-yl)benzene?
The InChIKey is YYCLAIUMFLUQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O.C15H14N2O2.C15H24.C15H22.C14H22N2.C13H19N.C12H20N4.C12H18N2.C12H13NS.C11H18N4.2C11H12N2O.C11H12N2S.C10H11N3O.C10H15N.5CH4/c1-10(2)12-5-4-6-13(7-12)14-8-18-15(19-14)9-17-11(3)16;1-10(2)11-3-12(14-6-16-8-18-14)5-13(4-11)15-7-17-9-19-15;1-10(2)13-8-7-9-14(11(3)4)15(13)12(5)6;1-5-6-8-13(4)15-10-7-9-14(11-15)12(2)3;1-12(2)14-5-3-4-13(10-14)11-16-8-6-15-7-9-16;1-10(2)13-7-5-12(6-8-13)9-14-11(3)4;1-10(2)12-13-5-4-11(14-12)16-8-6-15(3)7-9-16;1-9(2)12-6-4-11(5-7-12)8-14-10(3)13;1-9(2)12-13-8-11(14-12)10-6-4-3-5-7-10;1-9(2)11-13-4-3-10(14-11)15-7-5-12-6-8-15;3*1-8(2)10-12-13-11(14-10)9-6-4-3-5-7-9;1-7(2)9-12-13-10(14-9)8-5-3-4-6-11-8;1-8(2)10-5-3-4-9(6-10)7-11;;;;;/h4-8,10H,9H2,1-3H3,(H2,16,17);3-10H,1-2H3;7-12H,1-6H3;7,9-12H,4-6,8H2,1-3H3;3-5,10,12,15H,6-9,11H2,1-2H3;5-8,10,14H,3,9H2,1-2,4H3;4-5,10H,6-9H2,1-3H3;4-7,9H,8H2,1-3H3,(H2,13,14);3-9H,1-2H3;3-4,9,12H,5-8H2,1-2H3;3*3-8H,1-2H3;3-7H,1-2H3;3-6,8H,7,11H2,1-2H3;5*1H4.
What are the key properties of 1-hex-1-en-2-yl-3-propan-2-ylbenzene;methane;4-(4-methylpiperazin-1-yl)-2-propan-2-ylpyrimidine;5-[3-(1,3-oxazol-5-yl)-5-propan-2-ylphenyl]-1,3-oxazole;bis(2-phenyl-5-propan-2-yl-1,3,4-oxadiazole);2-phenyl-5-propan-2-yl-1,3,4-thiadiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;4-piperazin-1-yl-2-propan-2-ylpyrimidine;(3-propan-2-ylphenyl)methanamine;N'-[(4-propan-2-ylphenyl)methyl]ethanimidamide;1-[(3-propan-2-ylphenyl)methyl]piperazine;N-[(4-propan-2-ylphenyl)methyl]prop-1-en-2-amine;N'-[[5-(3-propan-2-ylphenyl)-1,3-oxazol-2-yl]methyl]ethanimidamide;2-propan-2-yl-5-pyridin-2-yl-1,3,4-oxadiazole;1,2,3-tri(propan-2-yl)benzene?
1-hex-1-en-2-yl-3-propan-2-ylbenzene;methane;4-(4-methylpiperazin-1-yl)-2-propan-2-ylpyrimidine;5-[3-(1,3-oxazol-5-yl)-5-propan-2-ylphenyl]-1,3-oxazole;bis(2-phenyl-5-propan-2-yl-1,3,4-oxadiazole);2-phenyl-5-propan-2-yl-1,3,4-thiadiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;4-piperazin-1-yl-2-propan-2-ylpyrimidine;(3-propan-2-ylphenyl)methanamine;N'-[(4-propan-2-ylphenyl)methyl]ethanimidamide;1-[(3-propan-2-ylphenyl)methyl]piperazine;N-[(4-propan-2-ylphenyl)methyl]prop-1-en-2-amine;N'-[[5-(3-propan-2-ylphenyl)-1,3-oxazol-2-yl]methyl]ethanimidamide;2-propan-2-yl-5-pyridin-2-yl-1,3,4-oxadiazole;1,2,3-tri(propan-2-yl)benzene has a molecular weight of 3145.61 g/mol, XLogP of 48.92, 41 rotatable bonds, 6 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hex-1-en-2-yl-3-propan-2-ylbenzene;methane;4-(4-methylpiperazin-1-yl)-2-propan-2-ylpyrimidine;5-[3-(1,3-oxazol-5-yl)-5-propan-2-ylphenyl]-1,3-oxazole;bis(2-phenyl-5-propan-2-yl-1,3,4-oxadiazole);2-phenyl-5-propan-2-yl-1,3,4-thiadiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;4-piperazin-1-yl-2-propan-2-ylpyrimidine;(3-propan-2-ylphenyl)methanamine;N'-[(4-propan-2-ylphenyl)methyl]ethanimidamide;1-[(3-propan-2-ylphenyl)methyl]piperazine;N-[(4-propan-2-ylphenyl)methyl]prop-1-en-2-amine;N'-[[5-(3-propan-2-ylphenyl)-1,3-oxazol-2-yl]methyl]ethanimidamide;2-propan-2-yl-5-pyridin-2-yl-1,3,4-oxadiazole;1,2,3-tri(propan-2-yl)benzene is sourced from PubChem (CID 162047618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).