tert-butylbenzene;2-tert-butyl-1-benzofuran;5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzoxazole;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-2,3-difluorobenzene;1-tert-butyl-2,4-difluorobenzene;1-tert-butyl-3,3-difluoropyrrolidine;7-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;6-tert-butyl-1,3-dihydroindol-2-one;6-tert-butyl-3,4-dihydro-2H-pyran;1-tert-butyl-2-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;3-tert-butyl-2-methyl-1-benzofuran;5-tert-butyl-2-methyl-1,3-dihydroisoindole;2-tert-butyl-4-methylfuran;5-tert-butyl-1-methylindazole;2-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-1-methylpyrazole;4-tert-butylpyridazine;3-tert-butyl-1H-pyrrole;3-tert-butylquinoline;5-tert-butyl-4-(trifluoromethyl)-1,3-oxazole

C255H355F13N16O12 — CID 158547742

IUPACtert-butylbenzene;2-tert-butyl-1-benzofuran;5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzoxazole;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-2,3-difluorobenzene;1-tert-butyl-2,4-difluorobenzene;1-tert-butyl-3,3-difluoropyrrolidine;7-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;6-tert-butyl-1,3-dihydroindol-2-one;6-tert-butyl-3,4-dihydro-2H-pyran;1-tert-butyl-2-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;3-tert-butyl-2-methyl-1-benzofuran;5-tert-butyl-2-methyl-1,3-dihydroisoindole;2-tert-butyl-4-methylfuran;5-tert-butyl-1-methylindazole;2-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-1-methylpyrazole;4-tert-butylpyridazine;3-tert-butyl-1H-pyrrole;3-tert-butylquinoline;5-tert-butyl-4-(trifluoromethyl)-1,3-oxazole
SMILESCC(C)(C)C1=CCCCO1.CC(C)(C)N1CC(F)(F)C1.CC(C)(C)N1CCC(F)(F)C1.CC(C)(C)c1cc2ccccc2o1.CC(C)(C)c1cc[nH]c1.CC(C)(C)c1ccc(F)cc1.CC(C)(C)c1ccc(F)cc1F.CC(C)(C)c1ccc2c(c1)NC(=O)C2.CC(C)(C)c1ccc2c(c1)OCCN2.CC(C)(C)c1ccc2occc2c1.CC(C)(C)c1ccc2ocnc2c1.CC(C)(C)c1cccc(F)c1F.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1F.CC(C)(C)c1ccnnc1.CC(C)(C)c1cnc2ccccc2c1.CC(C)(C)c1ocnc1C(F)(F)F.CN1Cc2ccc(C(C)(C)C)cc2C1.COc1ccc(C(C)(C)C)cc1.COc1cccc(C(C)(C)C)c1.Cc1coc(C(C)(C)C)c1.Cc1coc(C(C)(C)C)n1.Cc1oc2ccccc2c1C(C)(C)C.Cn1ncc2cc(C(C)(C)C)ccc21.Cn1nccc1C(C)(C)C
InChIInChI=1S/C13H19N.C13H15N.C13H16O.C12H16N2.C12H15NO.C12H17NO.2C12H14O.C11H13NO.2C11H16O.2C10H12F2.2C10H13F.C10H14.C9H14O.C9H16O.C8H10F3NO.C8H15F2N.C8H14N2.C8H12N2.C8H13NO.C8H13N.C7H13F2N/c1-13(2,3)12-6-5-10-8-14(4)9-11(10)7-12;1-13(2,3)11-8-10-6-4-5-7-12(10)14-9-11;1-9-12(13(2,3)4)10-7-5-6-8-11(10)14-9;1-12(2,3)10-5-6-11-9(7-10)8-13-14(11)4;1-12(2,3)9-5-4-8-6-11(14)13-10(8)7-9;1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-11(2,3)8-4-5-10-9(6-8)12-7-13-10;1-11(2,3)9-5-7-10(12-4)8-6-9;1-11(2,3)9-6-5-7-10(8-9)12-4;1-10(2,3)8-5-4-7(11)6-9(8)12;1-10(2,3)7-5-4-6-8(11)9(7)12;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)8-6-4-5-7-9(8)11;1-10(2,3)9-7-5-4-6-8-9;1-7-5-8(10-6-7)9(2,3)4;1-9(2,3)8-6-4-5-7-10-8;1-7(2,3)6-5(8(9,10)11)12-4-13-6;1-7(2,3)11-5-4-8(9,10)6-11;1-8(2,3)7-5-6-9-10(7)4;1-8(2,3)7-4-5-9-10-6-7;1-6-5-10-7(9-6)8(2,3)4;1-8(2,3)7-4-5-9-6-7;1-6(2,3)10-4-7(8,9)5-10/h5-7H,8-9H2,1-4H3;4-9H,1-3H3;2*5-8H,1-4H3;4-5,7H,6H2,1-3H3,(H,13,14);4-5,8,13H,6-7H2,1-3H3;2*4-8H,1-3H3;4-7H,1-3H3;2*5-8H,1-4H3;2*4-6H,1-3H3;2*4-7H,1-3H3;4-8H,1-3H3;5-6H,1-4H3;6H,4-5,7H2,1-3H3;4H,1-3H3;4-6H2,1-3H3;5-6H,1-4H3;4-6H,1-3H3;5H,1-4H3;4-6,9H,1-3H3;4-5H2,1-3H3
InChIKeyHPIIFKMSOLHAKA-UHFFFAOYSA-N
MW4083.72 g/mol
LogP71.51
Rot. Bonds2

About tert-butylbenzene;2-tert-butyl-1-benzofuran;5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzoxazole;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-2,3-difluorobenzene;1-tert-butyl-2,4-difluorobenzene;1-tert-butyl-3,3-difluoropyrrolidine;7-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;6-tert-butyl-1,3-dihydroindol-2-one;6-tert-butyl-3,4-dihydro-2H-pyran;1-tert-butyl-2-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;3-tert-butyl-2-methyl-1-benzofuran;5-tert-butyl-2-methyl-1,3-dihydroisoindole;2-tert-butyl-4-methylfuran;5-tert-butyl-1-methylindazole;2-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-1-methylpyrazole;4-tert-butylpyridazine;3-tert-butyl-1H-pyrrole;3-tert-butylquinoline;5-tert-butyl-4-(trifluoromethyl)-1,3-oxazole

tert-butylbenzene;2-tert-butyl-1-benzofuran;5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzoxazole;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-2,3-difluorobenzene;1-tert-butyl-2,4-difluorobenzene;1-tert-butyl-3,3-difluoropyrrolidine;7-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;6-tert-butyl-1,3-dihydroindol-2-one;6-tert-butyl-3,4-dihydro-2H-pyran;1-tert-butyl-2-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;3-tert-butyl-2-methyl-1-benzofuran;5-tert-butyl-2-methyl-1,3-dihydroisoindole;2-tert-butyl-4-methylfuran;5-tert-butyl-1-methylindazole;2-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-1-methylpyrazole;4-tert-butylpyridazine;3-tert-butyl-1H-pyrrole;3-tert-butylquinoline;5-tert-butyl-4-(trifluoromethyl)-1,3-oxazole (PubChem CID 158547742) has the molecular formula C255H355F13N16O12 and a molecular weight of 4083.72 g/mol. Its IUPAC name is tert-butylbenzene;2-tert-butyl-1-benzofuran;5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzoxazole;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-2,3-difluorobenzene;1-tert-butyl-2,4-difluorobenzene;1-tert-butyl-3,3-difluoropyrrolidine;7-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;6-tert-butyl-1,3-dihydroindol-2-one;6-tert-butyl-3,4-dihydro-2H-pyran;1-tert-butyl-2-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;3-tert-butyl-2-methyl-1-benzofuran;5-tert-butyl-2-methyl-1,3-dihydroisoindole;2-tert-butyl-4-methylfuran;5-tert-butyl-1-methylindazole;2-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-1-methylpyrazole;4-tert-butylpyridazine;3-tert-butyl-1H-pyrrole;3-tert-butylquinoline;5-tert-butyl-4-(trifluoromethyl)-1,3-oxazole.

Molecular Properties

Compound Nametert-butylbenzene;2-tert-butyl-1-benzofuran;5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzoxazole;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-2,3-difluorobenzene;1-tert-butyl-2,4-difluorobenzene;1-tert-butyl-3,3-difluoropyrrolidine;7-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;6-tert-butyl-1,3-dihydroindol-2-one;6-tert-butyl-3,4-dihydro-2H-pyran;1-tert-butyl-2-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;3-tert-butyl-2-methyl-1-benzofuran;5-tert-butyl-2-methyl-1,3-dihydroisoindole;2-tert-butyl-4-methylfuran;5-tert-butyl-1-methylindazole;2-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-1-methylpyrazole;4-tert-butylpyridazine;3-tert-butyl-1H-pyrrole;3-tert-butylquinoline;5-tert-butyl-4-(trifluoromethyl)-1,3-oxazole
PubChem CID158547742
Molecular FormulaC255H355F13N16O12
Molecular Weight4083.72 g/mol
Exact Mass4080.75
IUPAC Nametert-butylbenzene;2-tert-butyl-1-benzofuran;5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzoxazole;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-2,3-difluorobenzene;1-tert-butyl-2,4-difluorobenzene;1-tert-butyl-3,3-difluoropyrrolidine;7-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;6-tert-butyl-1,3-dihydroindol-2-one;6-tert-butyl-3,4-dihydro-2H-pyran;1-tert-butyl-2-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;3-tert-butyl-2-methyl-1-benzofuran;5-tert-butyl-2-methyl-1,3-dihydroisoindole;2-tert-butyl-4-methylfuran;5-tert-butyl-1-methylindazole;2-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-1-methylpyrazole;4-tert-butylpyridazine;3-tert-butyl-1H-pyrrole;3-tert-butylquinoline;5-tert-butyl-4-(trifluoromethyl)-1,3-oxazole
SMILESCC(C)(C)C1=CCCCO1.CC(C)(C)N1CC(F)(F)C1.CC(C)(C)N1CCC(F)(F)C1.CC(C)(C)c1cc2ccccc2o1.CC(C)(C)c1cc[nH]c1.CC(C)(C)c1ccc(F)cc1.CC(C)(C)c1ccc(F)cc1F.CC(C)(C)c1ccc2c(c1)NC(=O)C2.CC(C)(C)c1ccc2c(c1)OCCN2.CC(C)(C)c1ccc2occc2c1.CC(C)(C)c1ccc2ocnc2c1.CC(C)(C)c1cccc(F)c1F.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1F.CC(C)(C)c1ccnnc1.CC(C)(C)c1cnc2ccccc2c1.CC(C)(C)c1ocnc1C(F)(F)F.CN1Cc2ccc(C(C)(C)C)cc2C1.COc1ccc(C(C)(C)C)cc1.COc1cccc(C(C)(C)C)c1.Cc1coc(C(C)(C)C)c1.Cc1coc(C(C)(C)C)n1.Cc1oc2ccccc2c1C(C)(C)C.Cn1ncc2cc(C(C)(C)C)ccc21.Cn1nccc1C(C)(C)C
InChIInChI=1S/C13H19N.C13H15N.C13H16O.C12H16N2.C12H15NO.C12H17NO.2C12H14O.C11H13NO.2C11H16O.2C10H12F2.2C10H13F.C10H14.C9H14O.C9H16O.C8H10F3NO.C8H15F2N.C8H14N2.C8H12N2.C8H13NO.C8H13N.C7H13F2N/c1-13(2,3)12-6-5-10-8-14(4)9-11(10)7-12;1-13(2,3)11-8-10-6-4-5-7-12(10)14-9-11;1-9-12(13(2,3)4)10-7-5-6-8-11(10)14-9;1-12(2,3)10-5-6-11-9(7-10)8-13-14(11)4;1-12(2,3)9-5-4-8-6-11(14)13-10(8)7-9;1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-11(2,3)8-4-5-10-9(6-8)12-7-13-10;1-11(2,3)9-5-7-10(12-4)8-6-9;1-11(2,3)9-6-5-7-10(8-9)12-4;1-10(2,3)8-5-4-7(11)6-9(8)12;1-10(2,3)7-5-4-6-8(11)9(7)12;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)8-6-4-5-7-9(8)11;1-10(2,3)9-7-5-4-6-8-9;1-7-5-8(10-6-7)9(2,3)4;1-9(2,3)8-6-4-5-7-10-8;1-7(2,3)6-5(8(9,10)11)12-4-13-6;1-7(2,3)11-5-4-8(9,10)6-11;1-8(2,3)7-5-6-9-10(7)4;1-8(2,3)7-4-5-9-10-6-7;1-6-5-10-7(9-6)8(2,3)4;1-8(2,3)7-4-5-9-6-7;1-6(2,3)10-4-7(8,9)5-10/h5-7H,8-9H2,1-4H3;4-9H,1-3H3;2*5-8H,1-4H3;4-5,7H,6H2,1-3H3,(H,13,14);4-5,8,13H,6-7H2,1-3H3;2*4-8H,1-3H3;4-7H,1-3H3;2*5-8H,1-4H3;2*4-6H,1-3H3;2*4-7H,1-3H3;4-8H,1-3H3;5-6H,1-4H3;6H,4-5,7H2,1-3H3;4H,1-3H3;4-6H2,1-3H3;5-6H,1-4H3;4-6H,1-3H3;5H,1-4H3;4-6,9H,1-3H3;4-5H2,1-3H3
InChIKeyHPIIFKMSOLHAKA-UHFFFAOYSA-N
XLogP71.51
TPSA308.52 Ų
H-Bond Donors3
H-Bond Acceptors26
Rotatable Bonds2
Heavy Atoms296
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004083.72
LogP ≤ 571.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1026

Analyze tert-butylbenzene;2-tert-butyl-1-benzofuran;5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzoxazole;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-2,3-difluorobenzene;1-tert-butyl-2,4-difluorobenzene;1-tert-butyl-3,3-difluoropyrrolidine;7-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;6-tert-butyl-1,3-dihydroindol-2-one;6-tert-butyl-3,4-dihydro-2H-pyran;1-tert-butyl-2-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;3-tert-butyl-2-methyl-1-benzofuran;5-tert-butyl-2-methyl-1,3-dihydroisoindole;2-tert-butyl-4-methylfuran;5-tert-butyl-1-methylindazole;2-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-1-methylpyrazole;4-tert-butylpyridazine;3-tert-butyl-1H-pyrrole;3-tert-butylquinoline;5-tert-butyl-4-(trifluoromethyl)-1,3-oxazole with MolForge

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Launch Full Analysis

Related Compounds

1-(3,3-dimethylbut-1-ynyl)cyclohexene;4-(3,3-dimethylbut-1-ynyl)-1,2-difluorobenzene;4-(3,3-dimethylbut-1-ynyl)-1-fluoro-2-methylbenzene;1-(3,3-dimethylbut-1-ynyl)-3-(trifluoromethyl)benzene;6-(5,5-dimethylhex-2-ynyl)-1,3-benzoxazole;7-(5,5-dimethylhex-2-ynyl)cinnoline;5-(5,5-dimethylhex-2-ynyl)-2H-isoindole;4-(5,5-dimethylhex-2-ynyl)pyridazine;2-(5,5-dimethylhex-2-ynyl)pyridine;3-(5,5-dimethylhex-2-ynyl)pyridine;4-(5,5-dimethylhex-2-ynyl)pyridine;6-(5,5-dimethylhex-2-ynyl)quinoline;6-(5,5-dimethylhex-2-ynyl)quinoxaline;4-(4,4-dimethylpent-2-ynoxy)piperidine;1-(4,4-dimethylpent-2-ynyl)piperazine
CID 157187518
5-tert-butyl-1,3-benzodioxole;5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzoxazole;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,2-difluoro-1,3-benzodioxole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-3,4-dihydro-2H-chromene;6-tert-butyl-3,4-dihydro-2H-chromene;5-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-2,2-dimethyl-1,3-benzodioxole;5-tert-butyl-1H-indazole;5-tert-butyl-6-methyl-1,3-benzodioxole;5-tert-butyl-1-methylpyrazole;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole;3,3-dimethylbutan-2-ylbenzene;3-(3,3-dimethylbutan-2-yl)oxane;3-(2,2-dimethylpropyl)pyridine;methane
CID 157373019
1-cyclopropyl-4-propan-2-ylpiperidine;1-(difluoromethyl)-5-propan-2-ylindazole;1-(difluoromethyl)-6-propan-2-ylindazole;1,1-difluoro-4-propan-2-ylcyclohexane;methane;1-methyl-4-propan-2-ylindazole;1-methyl-5-propan-2-ylindazole;1-methyl-6-propan-2-ylindazole;1-methyl-7-propan-2-ylindazole;4-methyl-4-propan-2-yloxane;5-propan-2-yl-1,3-benzoxazole;7-propan-2-yl-1H-indazole
CID 157418117
tert-butylbenzene;5-tert-butyl-1,3-benzodioxole;5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzoxazole;5-tert-butyl-6-chloro-1,3-benzodioxole;5-tert-butyl-2,2-difluoro-1,3-benzodioxole;1-(5-tert-butyl-2-fluorophenyl)piperazine;5-tert-butyl-1H-indazole;4-(4-tert-butyl-2-methylphenyl)piperidine;5-tert-butyl-1-methylpyrazole;1-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanone;1-[1-(4-tert-butylphenyl)piperidin-4-yl]piperazine;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole;ethane
CID 157571356
5-tert-butyl-1,3-benzodioxole;5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzoxazole;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,2-difluoro-1,3-benzodioxole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-3,4-dihydro-2H-chromene;6-tert-butyl-3,4-dihydro-2H-chromene;5-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-2,2-dimethyl-1,3-benzodioxole;5-tert-butyl-1H-indazole;5-tert-butyl-6-methyl-1,3-benzodioxole;5-tert-butyl-1-methylpyrazole;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
CID 157647756
bis(tert-butylbenzene);5-tert-butyl-1,3-benzodioxole;5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzoxazole;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,2-difluoro-1,3-benzodioxole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-3,4-dihydro-2H-chromene;5-tert-butyl-2,2-dimethyl-1,3-benzodioxole;5-tert-butyl-1H-indazole;5-tert-butyl-6-methyl-1,3-benzodioxole;4-(4-tert-butyl-2-methylphenyl)piperidine;5-tert-butyl-1-methylpyrazole;1-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanone;1-[1-(4-tert-butylphenyl)piperidin-4-yl]piperazine;2-tert-butylpyridine;5-tert-butyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole;ethane;methane
CID 158209522
1-(3,3-dimethylbut-1-ynyl)cyclohexene;4-(3,3-dimethylbut-1-ynyl)-1,2-difluorobenzene;4-(3,3-dimethylbut-1-ynyl)-1-fluoro-2-methylbenzene;1-(3,3-dimethylbut-1-ynyl)-3-(trifluoromethyl)benzene;6-(5,5-dimethylhex-2-ynyl)-1,3-benzoxazole;7-(5,5-dimethylhex-2-ynyl)cinnoline;5-(5,5-dimethylhex-2-ynyl)-2H-isoindole;4-(5,5-dimethylhex-2-ynyl)pyridazine;4-(5,5-dimethylhex-2-ynyl)pyridine;6-(5,5-dimethylhex-2-ynyl)quinoline;6-(5,5-dimethylhex-2-ynyl)quinoxaline;4-(4,4-dimethylpent-2-ynoxy)piperidine;1-(4,4-dimethylpent-2-ynyl)piperazine
CID 158224255
2-[4-[3-[2-[4-[4-(1,3-Benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-1,3-benzoxazole;2-[4-[3-[3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-2-pyridinyl]phenyl]phenyl]-1,3-benzoxazole;2-[4-[4-[2-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-4,5,6,7-tetrakis(trifluoromethyl)-1,3-benzoxazole;2-[4-[4-[3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-2-pyridinyl]phenyl]phenyl]-4,5,6,7-tetrakis(trifluoromethyl)-1,3-benzoxazole
CID 158383395
2-[4-[3-[2-[3-[4-(1,3-Benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-1,3-benzoxazole;2-[4-[4-[2-[4-[4-[5,6-bis(trifluoromethyl)-1,3-benzoxazol-2-yl]phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-5,6-bis(trifluoromethyl)-1,3-benzoxazole;4-methyl-2-[4-[4-[2-[4-[4-[7-methyl-4-(trifluoromethyl)-1,3-benzoxazol-2-yl]phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-7-(trifluoromethyl)-1,3-benzoxazole;4-methyl-2-[4-[4-[2-[4-[4-[7-methyl-4,5,6-tris(trifluoromethyl)-1,3-benzoxazol-2-yl]phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-5,6,7-tris(trifluoromethyl)-1,3-benzoxazole
CID 158435449
tert-butylbenzene;2-tert-butyl-1-benzofuran;3-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzoxazole;1-tert-butyl-3-chlorobenzene;1-tert-butyl-2,3-difluorobenzene;1-tert-butyl-2,4-difluorobenzene;1-tert-butyl-3,3-difluoropyrrolidine;7-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;6-tert-butyl-3,4-dihydro-2H-pyran;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;3-tert-butyl-2-fluoropyridine;2-tert-butyl-1H-indene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-4-methylbenzene;3-tert-butyl-2-methyl-1-benzofuran;5-tert-butyl-1-methylpyrazole;bis(5-tert-butyl-2-methylpyridine);4-tert-butylpyridazine;3-tert-butyl-1H-pyrrole
CID 158762756
3-[4-(1-benzofuran-2-ylamino)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;N-[4-[4-carbamoyl-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazol-3-yl]-2-methoxyphenyl]-1-methylindole-2-carboxamide;3-[4-[[2-fluoro-4-(trifluoromethyl)benzoyl]amino]-3-methoxyphenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide
CID 158853935
2-[5-(1,1-difluoroethyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[(3S)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-1,3-benzoxazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;2-[8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-1-[3-(1-methylindazol-5-yl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone
CID 158924833

Frequently Asked Questions

What is the IUPAC name of tert-butylbenzene;2-tert-butyl-1-benzofuran;5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzoxazole;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-2,3-difluorobenzene;1-tert-butyl-2,4-difluorobenzene;1-tert-butyl-3,3-difluoropyrrolidine;7-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;6-tert-butyl-1,3-dihydroindol-2-one;6-tert-butyl-3,4-dihydro-2H-pyran;1-tert-butyl-2-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;3-tert-butyl-2-methyl-1-benzofuran;5-tert-butyl-2-methyl-1,3-dihydroisoindole;2-tert-butyl-4-methylfuran;5-tert-butyl-1-methylindazole;2-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-1-methylpyrazole;4-tert-butylpyridazine;3-tert-butyl-1H-pyrrole;3-tert-butylquinoline;5-tert-butyl-4-(trifluoromethyl)-1,3-oxazole?
The IUPAC name of tert-butylbenzene;2-tert-butyl-1-benzofuran;5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzoxazole;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-2,3-difluorobenzene;1-tert-butyl-2,4-difluorobenzene;1-tert-butyl-3,3-difluoropyrrolidine;7-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;6-tert-butyl-1,3-dihydroindol-2-one;6-tert-butyl-3,4-dihydro-2H-pyran;1-tert-butyl-2-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;3-tert-butyl-2-methyl-1-benzofuran;5-tert-butyl-2-methyl-1,3-dihydroisoindole;2-tert-butyl-4-methylfuran;5-tert-butyl-1-methylindazole;2-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-1-methylpyrazole;4-tert-butylpyridazine;3-tert-butyl-1H-pyrrole;3-tert-butylquinoline;5-tert-butyl-4-(trifluoromethyl)-1,3-oxazole (CID 158547742) is tert-butylbenzene;2-tert-butyl-1-benzofuran;5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzoxazole;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-2,3-difluorobenzene;1-tert-butyl-2,4-difluorobenzene;1-tert-butyl-3,3-difluoropyrrolidine;7-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;6-tert-butyl-1,3-dihydroindol-2-one;6-tert-butyl-3,4-dihydro-2H-pyran;1-tert-butyl-2-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;3-tert-butyl-2-methyl-1-benzofuran;5-tert-butyl-2-methyl-1,3-dihydroisoindole;2-tert-butyl-4-methylfuran;5-tert-butyl-1-methylindazole;2-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-1-methylpyrazole;4-tert-butylpyridazine;3-tert-butyl-1H-pyrrole;3-tert-butylquinoline;5-tert-butyl-4-(trifluoromethyl)-1,3-oxazole.
What is the SMILES notation for tert-butylbenzene;2-tert-butyl-1-benzofuran;5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzoxazole;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-2,3-difluorobenzene;1-tert-butyl-2,4-difluorobenzene;1-tert-butyl-3,3-difluoropyrrolidine;7-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;6-tert-butyl-1,3-dihydroindol-2-one;6-tert-butyl-3,4-dihydro-2H-pyran;1-tert-butyl-2-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;3-tert-butyl-2-methyl-1-benzofuran;5-tert-butyl-2-methyl-1,3-dihydroisoindole;2-tert-butyl-4-methylfuran;5-tert-butyl-1-methylindazole;2-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-1-methylpyrazole;4-tert-butylpyridazine;3-tert-butyl-1H-pyrrole;3-tert-butylquinoline;5-tert-butyl-4-(trifluoromethyl)-1,3-oxazole?
The canonical SMILES for tert-butylbenzene;2-tert-butyl-1-benzofuran;5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzoxazole;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-2,3-difluorobenzene;1-tert-butyl-2,4-difluorobenzene;1-tert-butyl-3,3-difluoropyrrolidine;7-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;6-tert-butyl-1,3-dihydroindol-2-one;6-tert-butyl-3,4-dihydro-2H-pyran;1-tert-butyl-2-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;3-tert-butyl-2-methyl-1-benzofuran;5-tert-butyl-2-methyl-1,3-dihydroisoindole;2-tert-butyl-4-methylfuran;5-tert-butyl-1-methylindazole;2-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-1-methylpyrazole;4-tert-butylpyridazine;3-tert-butyl-1H-pyrrole;3-tert-butylquinoline;5-tert-butyl-4-(trifluoromethyl)-1,3-oxazole is CC(C)(C)C1=CCCCO1.CC(C)(C)N1CC(F)(F)C1.CC(C)(C)N1CCC(F)(F)C1.CC(C)(C)c1cc2ccccc2o1.CC(C)(C)c1cc[nH]c1.CC(C)(C)c1ccc(F)cc1.CC(C)(C)c1ccc(F)cc1F.CC(C)(C)c1ccc2c(c1)NC(=O)C2.CC(C)(C)c1ccc2c(c1)OCCN2.CC(C)(C)c1ccc2occc2c1.CC(C)(C)c1ccc2ocnc2c1.CC(C)(C)c1cccc(F)c1F.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1F.CC(C)(C)c1ccnnc1.CC(C)(C)c1cnc2ccccc2c1.CC(C)(C)c1ocnc1C(F)(F)F.CN1Cc2ccc(C(C)(C)C)cc2C1.COc1ccc(C(C)(C)C)cc1.COc1cccc(C(C)(C)C)c1.Cc1coc(C(C)(C)C)c1.Cc1coc(C(C)(C)C)n1.Cc1oc2ccccc2c1C(C)(C)C.Cn1ncc2cc(C(C)(C)C)ccc21.Cn1nccc1C(C)(C)C.
What is the InChIKey of tert-butylbenzene;2-tert-butyl-1-benzofuran;5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzoxazole;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-2,3-difluorobenzene;1-tert-butyl-2,4-difluorobenzene;1-tert-butyl-3,3-difluoropyrrolidine;7-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;6-tert-butyl-1,3-dihydroindol-2-one;6-tert-butyl-3,4-dihydro-2H-pyran;1-tert-butyl-2-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;3-tert-butyl-2-methyl-1-benzofuran;5-tert-butyl-2-methyl-1,3-dihydroisoindole;2-tert-butyl-4-methylfuran;5-tert-butyl-1-methylindazole;2-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-1-methylpyrazole;4-tert-butylpyridazine;3-tert-butyl-1H-pyrrole;3-tert-butylquinoline;5-tert-butyl-4-(trifluoromethyl)-1,3-oxazole?
The InChIKey is HPIIFKMSOLHAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N.C13H15N.C13H16O.C12H16N2.C12H15NO.C12H17NO.2C12H14O.C11H13NO.2C11H16O.2C10H12F2.2C10H13F.C10H14.C9H14O.C9H16O.C8H10F3NO.C8H15F2N.C8H14N2.C8H12N2.C8H13NO.C8H13N.C7H13F2N/c1-13(2,3)12-6-5-10-8-14(4)9-11(10)7-12;1-13(2,3)11-8-10-6-4-5-7-12(10)14-9-11;1-9-12(13(2,3)4)10-7-5-6-8-11(10)14-9;1-12(2,3)10-5-6-11-9(7-10)8-13-14(11)4;1-12(2,3)9-5-4-8-6-11(14)13-10(8)7-9;1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-11(2,3)8-4-5-10-9(6-8)12-7-13-10;1-11(2,3)9-5-7-10(12-4)8-6-9;1-11(2,3)9-6-5-7-10(8-9)12-4;1-10(2,3)8-5-4-7(11)6-9(8)12;1-10(2,3)7-5-4-6-8(11)9(7)12;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)8-6-4-5-7-9(8)11;1-10(2,3)9-7-5-4-6-8-9;1-7-5-8(10-6-7)9(2,3)4;1-9(2,3)8-6-4-5-7-10-8;1-7(2,3)6-5(8(9,10)11)12-4-13-6;1-7(2,3)11-5-4-8(9,10)6-11;1-8(2,3)7-5-6-9-10(7)4;1-8(2,3)7-4-5-9-10-6-7;1-6-5-10-7(9-6)8(2,3)4;1-8(2,3)7-4-5-9-6-7;1-6(2,3)10-4-7(8,9)5-10/h5-7H,8-9H2,1-4H3;4-9H,1-3H3;2*5-8H,1-4H3;4-5,7H,6H2,1-3H3,(H,13,14);4-5,8,13H,6-7H2,1-3H3;2*4-8H,1-3H3;4-7H,1-3H3;2*5-8H,1-4H3;2*4-6H,1-3H3;2*4-7H,1-3H3;4-8H,1-3H3;5-6H,1-4H3;6H,4-5,7H2,1-3H3;4H,1-3H3;4-6H2,1-3H3;5-6H,1-4H3;4-6H,1-3H3;5H,1-4H3;4-6,9H,1-3H3;4-5H2,1-3H3.
What are the key properties of tert-butylbenzene;2-tert-butyl-1-benzofuran;5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzoxazole;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-2,3-difluorobenzene;1-tert-butyl-2,4-difluorobenzene;1-tert-butyl-3,3-difluoropyrrolidine;7-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;6-tert-butyl-1,3-dihydroindol-2-one;6-tert-butyl-3,4-dihydro-2H-pyran;1-tert-butyl-2-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;3-tert-butyl-2-methyl-1-benzofuran;5-tert-butyl-2-methyl-1,3-dihydroisoindole;2-tert-butyl-4-methylfuran;5-tert-butyl-1-methylindazole;2-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-1-methylpyrazole;4-tert-butylpyridazine;3-tert-butyl-1H-pyrrole;3-tert-butylquinoline;5-tert-butyl-4-(trifluoromethyl)-1,3-oxazole?
tert-butylbenzene;2-tert-butyl-1-benzofuran;5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzoxazole;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-2,3-difluorobenzene;1-tert-butyl-2,4-difluorobenzene;1-tert-butyl-3,3-difluoropyrrolidine;7-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;6-tert-butyl-1,3-dihydroindol-2-one;6-tert-butyl-3,4-dihydro-2H-pyran;1-tert-butyl-2-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;3-tert-butyl-2-methyl-1-benzofuran;5-tert-butyl-2-methyl-1,3-dihydroisoindole;2-tert-butyl-4-methylfuran;5-tert-butyl-1-methylindazole;2-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-1-methylpyrazole;4-tert-butylpyridazine;3-tert-butyl-1H-pyrrole;3-tert-butylquinoline;5-tert-butyl-4-(trifluoromethyl)-1,3-oxazole has a molecular weight of 4083.72 g/mol, XLogP of 71.51, 2 rotatable bonds, 3 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylbenzene;2-tert-butyl-1-benzofuran;5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzoxazole;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-2,3-difluorobenzene;1-tert-butyl-2,4-difluorobenzene;1-tert-butyl-3,3-difluoropyrrolidine;7-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;6-tert-butyl-1,3-dihydroindol-2-one;6-tert-butyl-3,4-dihydro-2H-pyran;1-tert-butyl-2-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;3-tert-butyl-2-methyl-1-benzofuran;5-tert-butyl-2-methyl-1,3-dihydroisoindole;2-tert-butyl-4-methylfuran;5-tert-butyl-1-methylindazole;2-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-1-methylpyrazole;4-tert-butylpyridazine;3-tert-butyl-1H-pyrrole;3-tert-butylquinoline;5-tert-butyl-4-(trifluoromethyl)-1,3-oxazole is sourced from PubChem (CID 158547742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).