tetrakis(tert-butylbenzene);5-(4-tert-butylphenyl)-1,2-dihydropyrazol-3-one;1-(4-tert-butylphenyl)imidazole;2-(4-tert-butylphenyl)-5-methyl-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-1,2,4-oxadiazole;3-(4-tert-butylphenyl)-4H-1,2,4-oxadiazol-5-one;1-(4-tert-butylphenyl)piperidin-2-one;2-(4-tert-butylphenyl)pyridine;1-(4-tert-butylphenyl)pyridin-2-one;2,2-dimethylpropane;1,5-dimethyltetrazole;2,5-dimethyltetrazole;ethane;1-methyltetrazole;5-methyl-4H-triazole;morpholin-4-yl(phenyl)methanone

C177H239N29O9 — CID 159365244

IUPACtetrakis(tert-butylbenzene);5-(4-tert-butylphenyl)-1,2-dihydropyrazol-3-one;1-(4-tert-butylphenyl)imidazole;2-(4-tert-butylphenyl)-5-methyl-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-1,2,4-oxadiazole;3-(4-tert-butylphenyl)-4H-1,2,4-oxadiazol-5-one;1-(4-tert-butylphenyl)piperidin-2-one;2-(4-tert-butylphenyl)pyridine;1-(4-tert-butylphenyl)pyridin-2-one;2,2-dimethylpropane;1,5-dimethyltetrazole;2,5-dimethyltetrazole;ethane;1-methyltetrazole;5-methyl-4H-triazole;morpholin-4-yl(phenyl)methanone
SMILESCC.CC(C)(C)C.CC(C)(C)c1ccc(-c2cc(=O)[nH][nH]2)cc1.CC(C)(C)c1ccc(-c2ccccn2)cc1.CC(C)(C)c1ccc(-c2ncon2)cc1.CC(C)(C)c1ccc(-c2noc(=O)[nH]2)cc1.CC(C)(C)c1ccc(-n2ccccc2=O)cc1.CC(C)(C)c1ccc(-n2ccnc2)cc1.CC(C)(C)c1ccc(N2CCCCC2=O)cc1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1.CC1=NN=NC1.Cc1nnc(-c2ccc(C(C)(C)C)cc2)o1.Cc1nnn(C)n1.Cc1nnnn1C.Cn1cnnn1.O=C(c1ccccc1)N1CCOCC1
InChIInChI=1S/C15H21NO.C15H17NO.C15H17N.2C13H16N2O.C13H16N2.C12H14N2O2.C12H14N2O.C11H13NO2.4C10H14.C5H12.2C3H6N4.C3H5N3.C2H4N4.C2H6/c2*1-15(2,3)12-7-9-13(10-8-12)16-11-5-4-6-14(16)17;1-15(2,3)13-9-7-12(8-10-13)14-6-4-5-11-16-14;1-9-14-15-12(16-9)10-5-7-11(8-6-10)13(2,3)4;1-13(2,3)10-6-4-9(5-7-10)11-8-12(16)15-14-11;1-13(2,3)11-4-6-12(7-5-11)15-9-8-14-10-15;1-12(2,3)9-6-4-8(5-7-9)10-13-11(15)16-14-10;1-12(2,3)10-6-4-9(5-7-10)11-13-8-15-14-11;13-11(10-4-2-1-3-5-10)12-6-8-14-9-7-12;4*1-10(2,3)9-7-5-4-6-8-9;1-5(2,3)4;1-3-4-5-6-7(3)2;1-3-4-6-7(2)5-3;1-3-2-4-6-5-3;1-6-2-3-4-5-6;1-2/h7-10H,4-6,11H2,1-3H3;4-11H,1-3H3;4-11H,1-3H3;5-8H,1-4H3;4-8H,1-3H3,(H2,14,15,16);4-10H,1-3H3;4-7H,1-3H3,(H,13,14,15);4-8H,1-3H3;1-5H,6-9H2;4*4-8H,1-3H3;1-4H3;2*1-2H3;2H2,1H3;2H,1H3;1-2H3
InChIKeyLJASQSJXQBFSOO-UHFFFAOYSA-N
MW2917.05 g/mol
LogP40.47
Rot. Bonds9

About tetrakis(tert-butylbenzene);5-(4-tert-butylphenyl)-1,2-dihydropyrazol-3-one;1-(4-tert-butylphenyl)imidazole;2-(4-tert-butylphenyl)-5-methyl-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-1,2,4-oxadiazole;3-(4-tert-butylphenyl)-4H-1,2,4-oxadiazol-5-one;1-(4-tert-butylphenyl)piperidin-2-one;2-(4-tert-butylphenyl)pyridine;1-(4-tert-butylphenyl)pyridin-2-one;2,2-dimethylpropane;1,5-dimethyltetrazole;2,5-dimethyltetrazole;ethane;1-methyltetrazole;5-methyl-4H-triazole;morpholin-4-yl(phenyl)methanone

tetrakis(tert-butylbenzene);5-(4-tert-butylphenyl)-1,2-dihydropyrazol-3-one;1-(4-tert-butylphenyl)imidazole;2-(4-tert-butylphenyl)-5-methyl-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-1,2,4-oxadiazole;3-(4-tert-butylphenyl)-4H-1,2,4-oxadiazol-5-one;1-(4-tert-butylphenyl)piperidin-2-one;2-(4-tert-butylphenyl)pyridine;1-(4-tert-butylphenyl)pyridin-2-one;2,2-dimethylpropane;1,5-dimethyltetrazole;2,5-dimethyltetrazole;ethane;1-methyltetrazole;5-methyl-4H-triazole;morpholin-4-yl(phenyl)methanone (PubChem CID 159365244) has the molecular formula C177H239N29O9 and a molecular weight of 2917.05 g/mol. Its IUPAC name is tetrakis(tert-butylbenzene);5-(4-tert-butylphenyl)-1,2-dihydropyrazol-3-one;1-(4-tert-butylphenyl)imidazole;2-(4-tert-butylphenyl)-5-methyl-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-1,2,4-oxadiazole;3-(4-tert-butylphenyl)-4H-1,2,4-oxadiazol-5-one;1-(4-tert-butylphenyl)piperidin-2-one;2-(4-tert-butylphenyl)pyridine;1-(4-tert-butylphenyl)pyridin-2-one;2,2-dimethylpropane;1,5-dimethyltetrazole;2,5-dimethyltetrazole;ethane;1-methyltetrazole;5-methyl-4H-triazole;morpholin-4-yl(phenyl)methanone.

Molecular Properties

Compound Nametetrakis(tert-butylbenzene);5-(4-tert-butylphenyl)-1,2-dihydropyrazol-3-one;1-(4-tert-butylphenyl)imidazole;2-(4-tert-butylphenyl)-5-methyl-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-1,2,4-oxadiazole;3-(4-tert-butylphenyl)-4H-1,2,4-oxadiazol-5-one;1-(4-tert-butylphenyl)piperidin-2-one;2-(4-tert-butylphenyl)pyridine;1-(4-tert-butylphenyl)pyridin-2-one;2,2-dimethylpropane;1,5-dimethyltetrazole;2,5-dimethyltetrazole;ethane;1-methyltetrazole;5-methyl-4H-triazole;morpholin-4-yl(phenyl)methanone
PubChem CID159365244
Molecular FormulaC177H239N29O9
Molecular Weight2917.05 g/mol
Exact Mass2914.91
IUPAC Nametetrakis(tert-butylbenzene);5-(4-tert-butylphenyl)-1,2-dihydropyrazol-3-one;1-(4-tert-butylphenyl)imidazole;2-(4-tert-butylphenyl)-5-methyl-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-1,2,4-oxadiazole;3-(4-tert-butylphenyl)-4H-1,2,4-oxadiazol-5-one;1-(4-tert-butylphenyl)piperidin-2-one;2-(4-tert-butylphenyl)pyridine;1-(4-tert-butylphenyl)pyridin-2-one;2,2-dimethylpropane;1,5-dimethyltetrazole;2,5-dimethyltetrazole;ethane;1-methyltetrazole;5-methyl-4H-triazole;morpholin-4-yl(phenyl)methanone
SMILESCC.CC(C)(C)C.CC(C)(C)c1ccc(-c2cc(=O)[nH][nH]2)cc1.CC(C)(C)c1ccc(-c2ccccn2)cc1.CC(C)(C)c1ccc(-c2ncon2)cc1.CC(C)(C)c1ccc(-c2noc(=O)[nH]2)cc1.CC(C)(C)c1ccc(-n2ccccc2=O)cc1.CC(C)(C)c1ccc(-n2ccnc2)cc1.CC(C)(C)c1ccc(N2CCCCC2=O)cc1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1.CC1=NN=NC1.Cc1nnc(-c2ccc(C(C)(C)C)cc2)o1.Cc1nnn(C)n1.Cc1nnnn1C.Cn1cnnn1.O=C(c1ccccc1)N1CCOCC1
InChIInChI=1S/C15H21NO.C15H17NO.C15H17N.2C13H16N2O.C13H16N2.C12H14N2O2.C12H14N2O.C11H13NO2.4C10H14.C5H12.2C3H6N4.C3H5N3.C2H4N4.C2H6/c2*1-15(2,3)12-7-9-13(10-8-12)16-11-5-4-6-14(16)17;1-15(2,3)13-9-7-12(8-10-13)14-6-4-5-11-16-14;1-9-14-15-12(16-9)10-5-7-11(8-6-10)13(2,3)4;1-13(2,3)10-6-4-9(5-7-10)11-8-12(16)15-14-11;1-13(2,3)11-4-6-12(7-5-11)15-9-8-14-10-15;1-12(2,3)9-6-4-8(5-7-9)10-13-11(15)16-14-10;1-12(2,3)10-6-4-9(5-7-10)11-13-8-15-14-11;13-11(10-4-2-1-3-5-10)12-6-8-14-9-7-12;4*1-10(2,3)9-7-5-4-6-8-9;1-5(2,3)4;1-3-4-5-6-7(3)2;1-3-4-6-7(2)5-3;1-3-2-4-6-5-3;1-6-2-3-4-5-6;1-2/h7-10H,4-6,11H2,1-3H3;4-11H,1-3H3;4-11H,1-3H3;5-8H,1-4H3;4-8H,1-3H3,(H2,14,15,16);4-10H,1-3H3;4-7H,1-3H3,(H,13,14,15);4-8H,1-3H3;1-5H,6-9H2;4*4-8H,1-3H3;1-4H3;2*1-2H3;2H2,1H3;2H,1H3;1-2H3
InChIKeyLJASQSJXQBFSOO-UHFFFAOYSA-N
XLogP40.47
TPSA455.82 Ų
H-Bond Donors3
H-Bond Acceptors33
Rotatable Bonds9
Heavy Atoms215
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002917.05
LogP ≤ 540.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1033

Analyze tetrakis(tert-butylbenzene);5-(4-tert-butylphenyl)-1,2-dihydropyrazol-3-one;1-(4-tert-butylphenyl)imidazole;2-(4-tert-butylphenyl)-5-methyl-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-1,2,4-oxadiazole;3-(4-tert-butylphenyl)-4H-1,2,4-oxadiazol-5-one;1-(4-tert-butylphenyl)piperidin-2-one;2-(4-tert-butylphenyl)pyridine;1-(4-tert-butylphenyl)pyridin-2-one;2,2-dimethylpropane;1,5-dimethyltetrazole;2,5-dimethyltetrazole;ethane;1-methyltetrazole;5-methyl-4H-triazole;morpholin-4-yl(phenyl)methanone with MolForge

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Related Compounds

(5S)-2-(3-cyclopropyl-1H-isoindol-5-yl)-7-[2-[4-[4-(2-methyl-1H-1,2,4-triazol-2-ium-5-yl)phenyl]piperazin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-7-[2-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-isoindol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-7-[2-[4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-isoindol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-7-[2-[4-[4-(1-methyltriazol-4-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-isoindol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one
CID 158192770
CID 159296733
CID 159296733
2-amino-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;8-amino-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one;8-deuterio-2,7-dimethyl-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;4-methyl-6-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyridazin-5-one;2-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-a]pyrazine-1,6-dione;2,7,8-trimethyl-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one
CID 157316829
2-(4-Tert-butylphenyl)-5-[3-[3-[3-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]phenyl]-1,3,4-oxadiazole;2-tert-butyl-5-[3-[3-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]phenyl]-1,3,4-oxadiazole;4-[3-[3-[3-(2,5-diphenylimidazol-1-yl)phenyl]phenyl]phenyl]-3,5-diphenyl-1,2,4-triazole;4-[4-[3-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]phenyl]phenyl]-3,5-diphenyl-1,2,4-triazole;2-phenyl-5-[3-[3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]phenyl]-1,3,4-oxadiazole;2-propan-2-yl-5-[3-[3-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]phenyl]-1,3,4-oxadiazole
CID 157997031
8-amino-7-methyl-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-amino-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;bis(7-methyl-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one);6-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyridazin-5-one;3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;7-methyl-1-[[3-[(3R,5R)-5-(4-phenylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one
CID 158146842
1-(4-tert-butylphenyl)-2-methylimidazole;1-(4-tert-butylphenyl)-4-methylimidazole;1-[(4-tert-butylphenyl)methyl]-2-methylimidazole;4-[(4-tert-butylphenyl)methyl]-4-oxidomorpholin-4-ium;4-[(4-tert-butylphenyl)methyl]pyridine;1-[(4-tert-butylphenyl)methyl]-1,2,4-triazole;(4-tert-butylphenyl)-morpholin-4-ylmethanone;(4-tert-butylphenyl)-piperazin-1-ylmethanone;(4-tert-butylphenyl)-pyrrolidin-1-ylmethanone;5-(3-tert-butylphenyl)-2H-tetrazole;5-(4-tert-butylphenyl)-2H-tetrazole;1-(4-tert-butylphenyl)-1,2,4-triazole
CID 158152666
8-amino-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one;7-bromo-5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[5,1-f][1,2,4]triazin-4-one;2-deuterio-7-methyl-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-propan-2-ylimidazo[5,1-f][1,2,4]triazin-4-one;4-methyl-6-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyridazin-5-one;3-methyl-5-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]triazolo[4,5-c]pyridin-4-one;6-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrimido[4,5-c]pyridazin-5-one
CID 158199696
(5S)-3-[3,5-difluoro-4-[6-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]phenyl]-5-ethyl-1,3-oxazolidin-2-one;(5S)-3-[3,5-difluoro-4-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]phenyl]-5-ethyl-1,3-oxazolidin-2-one;(5S)-3-[3,5-difluoro-4-[6-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]phenyl]-5-ethyl-1,3-oxazolidin-2-one;(5S)-5-ethyl-3-[3-fluoro-4-[6-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one;(5S)-5-ethyl-3-[3-fluoro-4-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one;(5S)-5-ethyl-3-[3-fluoro-4-[6-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one;methane
CID 158868702
4-[1-(4-tert-butylphenyl)ethyl]morpholine;1-(4-tert-butylphenyl)-2-methylimidazole;1-(4-tert-butylphenyl)-4-methylimidazole;1-[(4-tert-butylphenyl)methyl]-2-methylimidazole;4-[(4-tert-butylphenyl)methyl]-4-oxidomorpholin-4-ium;4-[(4-tert-butylphenyl)methyl]pyridine;1-[(4-tert-butylphenyl)methyl]-1,2,4-triazole;(4-tert-butylphenyl)-morpholin-4-ylmethanone;(4-tert-butylphenyl)-piperazin-1-ylmethanone;(4-tert-butylphenyl)-pyrrolidin-1-ylmethanone;5-(3-tert-butylphenyl)-2H-tetrazole;5-(4-tert-butylphenyl)-2H-tetrazole;1-(4-tert-butylphenyl)-1,2,4-triazole
CID 159174666
8-amino-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one;7-bromo-5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[5,1-f][1,2,4]triazin-4-one;2-deuterio-7-methyl-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-(dimethylamino)-5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[5,1-f][1,2,4]triazin-4-one;4-methyl-6-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyridazin-5-one;3-methyl-5-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]triazolo[4,5-c]pyridin-4-one;6-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrimido[4,5-c]pyridazin-5-one
CID 159202753
4-[4-[6-(5-methyl-1,3,4-oxadiazol-2-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-[6-(2-methylpyrazol-3-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-[6-(1-methyl-1,2,4-triazol-3-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-[6-(1-methyltriazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-[6-(4-methyl-1,2,4-triazol-3-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-[6-(1H-pyrazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-[6-(1H-pyrazol-5-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine
CID 159933715
1-(4-tert-butylphenyl)-2-methylimidazole;1-(4-tert-butylphenyl)-4-methylimidazole;1-[(4-tert-butylphenyl)methyl]-2-methylimidazole;4-[(4-tert-butylphenyl)methyl]-4-oxidomorpholin-4-ium;4-[(4-tert-butylphenyl)methyl]pyridine;1-[(4-tert-butylphenyl)methyl]-1,2,4-triazole;(4-tert-butylphenyl)-morpholin-4-ylmethanone;(4-tert-butylphenyl)-pyrrolidin-1-ylmethanone;5-(3-tert-butylphenyl)-2H-tetrazole;1-(4-tert-butylphenyl)-1,2,4-triazole
CID 159971087

Frequently Asked Questions

What is the IUPAC name of tetrakis(tert-butylbenzene);5-(4-tert-butylphenyl)-1,2-dihydropyrazol-3-one;1-(4-tert-butylphenyl)imidazole;2-(4-tert-butylphenyl)-5-methyl-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-1,2,4-oxadiazole;3-(4-tert-butylphenyl)-4H-1,2,4-oxadiazol-5-one;1-(4-tert-butylphenyl)piperidin-2-one;2-(4-tert-butylphenyl)pyridine;1-(4-tert-butylphenyl)pyridin-2-one;2,2-dimethylpropane;1,5-dimethyltetrazole;2,5-dimethyltetrazole;ethane;1-methyltetrazole;5-methyl-4H-triazole;morpholin-4-yl(phenyl)methanone?
The IUPAC name of tetrakis(tert-butylbenzene);5-(4-tert-butylphenyl)-1,2-dihydropyrazol-3-one;1-(4-tert-butylphenyl)imidazole;2-(4-tert-butylphenyl)-5-methyl-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-1,2,4-oxadiazole;3-(4-tert-butylphenyl)-4H-1,2,4-oxadiazol-5-one;1-(4-tert-butylphenyl)piperidin-2-one;2-(4-tert-butylphenyl)pyridine;1-(4-tert-butylphenyl)pyridin-2-one;2,2-dimethylpropane;1,5-dimethyltetrazole;2,5-dimethyltetrazole;ethane;1-methyltetrazole;5-methyl-4H-triazole;morpholin-4-yl(phenyl)methanone (CID 159365244) is tetrakis(tert-butylbenzene);5-(4-tert-butylphenyl)-1,2-dihydropyrazol-3-one;1-(4-tert-butylphenyl)imidazole;2-(4-tert-butylphenyl)-5-methyl-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-1,2,4-oxadiazole;3-(4-tert-butylphenyl)-4H-1,2,4-oxadiazol-5-one;1-(4-tert-butylphenyl)piperidin-2-one;2-(4-tert-butylphenyl)pyridine;1-(4-tert-butylphenyl)pyridin-2-one;2,2-dimethylpropane;1,5-dimethyltetrazole;2,5-dimethyltetrazole;ethane;1-methyltetrazole;5-methyl-4H-triazole;morpholin-4-yl(phenyl)methanone.
What is the SMILES notation for tetrakis(tert-butylbenzene);5-(4-tert-butylphenyl)-1,2-dihydropyrazol-3-one;1-(4-tert-butylphenyl)imidazole;2-(4-tert-butylphenyl)-5-methyl-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-1,2,4-oxadiazole;3-(4-tert-butylphenyl)-4H-1,2,4-oxadiazol-5-one;1-(4-tert-butylphenyl)piperidin-2-one;2-(4-tert-butylphenyl)pyridine;1-(4-tert-butylphenyl)pyridin-2-one;2,2-dimethylpropane;1,5-dimethyltetrazole;2,5-dimethyltetrazole;ethane;1-methyltetrazole;5-methyl-4H-triazole;morpholin-4-yl(phenyl)methanone?
The canonical SMILES for tetrakis(tert-butylbenzene);5-(4-tert-butylphenyl)-1,2-dihydropyrazol-3-one;1-(4-tert-butylphenyl)imidazole;2-(4-tert-butylphenyl)-5-methyl-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-1,2,4-oxadiazole;3-(4-tert-butylphenyl)-4H-1,2,4-oxadiazol-5-one;1-(4-tert-butylphenyl)piperidin-2-one;2-(4-tert-butylphenyl)pyridine;1-(4-tert-butylphenyl)pyridin-2-one;2,2-dimethylpropane;1,5-dimethyltetrazole;2,5-dimethyltetrazole;ethane;1-methyltetrazole;5-methyl-4H-triazole;morpholin-4-yl(phenyl)methanone is CC.CC(C)(C)C.CC(C)(C)c1ccc(-c2cc(=O)[nH][nH]2)cc1.CC(C)(C)c1ccc(-c2ccccn2)cc1.CC(C)(C)c1ccc(-c2ncon2)cc1.CC(C)(C)c1ccc(-c2noc(=O)[nH]2)cc1.CC(C)(C)c1ccc(-n2ccccc2=O)cc1.CC(C)(C)c1ccc(-n2ccnc2)cc1.CC(C)(C)c1ccc(N2CCCCC2=O)cc1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1.CC1=NN=NC1.Cc1nnc(-c2ccc(C(C)(C)C)cc2)o1.Cc1nnn(C)n1.Cc1nnnn1C.Cn1cnnn1.O=C(c1ccccc1)N1CCOCC1.
What is the InChIKey of tetrakis(tert-butylbenzene);5-(4-tert-butylphenyl)-1,2-dihydropyrazol-3-one;1-(4-tert-butylphenyl)imidazole;2-(4-tert-butylphenyl)-5-methyl-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-1,2,4-oxadiazole;3-(4-tert-butylphenyl)-4H-1,2,4-oxadiazol-5-one;1-(4-tert-butylphenyl)piperidin-2-one;2-(4-tert-butylphenyl)pyridine;1-(4-tert-butylphenyl)pyridin-2-one;2,2-dimethylpropane;1,5-dimethyltetrazole;2,5-dimethyltetrazole;ethane;1-methyltetrazole;5-methyl-4H-triazole;morpholin-4-yl(phenyl)methanone?
The InChIKey is LJASQSJXQBFSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO.C15H17NO.C15H17N.2C13H16N2O.C13H16N2.C12H14N2O2.C12H14N2O.C11H13NO2.4C10H14.C5H12.2C3H6N4.C3H5N3.C2H4N4.C2H6/c2*1-15(2,3)12-7-9-13(10-8-12)16-11-5-4-6-14(16)17;1-15(2,3)13-9-7-12(8-10-13)14-6-4-5-11-16-14;1-9-14-15-12(16-9)10-5-7-11(8-6-10)13(2,3)4;1-13(2,3)10-6-4-9(5-7-10)11-8-12(16)15-14-11;1-13(2,3)11-4-6-12(7-5-11)15-9-8-14-10-15;1-12(2,3)9-6-4-8(5-7-9)10-13-11(15)16-14-10;1-12(2,3)10-6-4-9(5-7-10)11-13-8-15-14-11;13-11(10-4-2-1-3-5-10)12-6-8-14-9-7-12;4*1-10(2,3)9-7-5-4-6-8-9;1-5(2,3)4;1-3-4-5-6-7(3)2;1-3-4-6-7(2)5-3;1-3-2-4-6-5-3;1-6-2-3-4-5-6;1-2/h7-10H,4-6,11H2,1-3H3;4-11H,1-3H3;4-11H,1-3H3;5-8H,1-4H3;4-8H,1-3H3,(H2,14,15,16);4-10H,1-3H3;4-7H,1-3H3,(H,13,14,15);4-8H,1-3H3;1-5H,6-9H2;4*4-8H,1-3H3;1-4H3;2*1-2H3;2H2,1H3;2H,1H3;1-2H3.
What are the key properties of tetrakis(tert-butylbenzene);5-(4-tert-butylphenyl)-1,2-dihydropyrazol-3-one;1-(4-tert-butylphenyl)imidazole;2-(4-tert-butylphenyl)-5-methyl-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-1,2,4-oxadiazole;3-(4-tert-butylphenyl)-4H-1,2,4-oxadiazol-5-one;1-(4-tert-butylphenyl)piperidin-2-one;2-(4-tert-butylphenyl)pyridine;1-(4-tert-butylphenyl)pyridin-2-one;2,2-dimethylpropane;1,5-dimethyltetrazole;2,5-dimethyltetrazole;ethane;1-methyltetrazole;5-methyl-4H-triazole;morpholin-4-yl(phenyl)methanone?
tetrakis(tert-butylbenzene);5-(4-tert-butylphenyl)-1,2-dihydropyrazol-3-one;1-(4-tert-butylphenyl)imidazole;2-(4-tert-butylphenyl)-5-methyl-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-1,2,4-oxadiazole;3-(4-tert-butylphenyl)-4H-1,2,4-oxadiazol-5-one;1-(4-tert-butylphenyl)piperidin-2-one;2-(4-tert-butylphenyl)pyridine;1-(4-tert-butylphenyl)pyridin-2-one;2,2-dimethylpropane;1,5-dimethyltetrazole;2,5-dimethyltetrazole;ethane;1-methyltetrazole;5-methyl-4H-triazole;morpholin-4-yl(phenyl)methanone has a molecular weight of 2917.05 g/mol, XLogP of 40.47, 9 rotatable bonds, 3 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(tert-butylbenzene);5-(4-tert-butylphenyl)-1,2-dihydropyrazol-3-one;1-(4-tert-butylphenyl)imidazole;2-(4-tert-butylphenyl)-5-methyl-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-1,2,4-oxadiazole;3-(4-tert-butylphenyl)-4H-1,2,4-oxadiazol-5-one;1-(4-tert-butylphenyl)piperidin-2-one;2-(4-tert-butylphenyl)pyridine;1-(4-tert-butylphenyl)pyridin-2-one;2,2-dimethylpropane;1,5-dimethyltetrazole;2,5-dimethyltetrazole;ethane;1-methyltetrazole;5-methyl-4H-triazole;morpholin-4-yl(phenyl)methanone is sourced from PubChem (CID 159365244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).