3-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;1-tert-butyl-3,3-difluoroazetidine;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;2-tert-butyl-1H-indene;5-tert-butyl-2-methyl-1,3-dihydroisoindole;2-tert-butyl-4-methylfuran;6-tert-butyl-1-methylindazole;2-tert-butyl-4-methyl-1,3-oxazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methylpyridine;4-tert-butyl-1H-pyrazole;4-tert-butylpyridazine;3-tert-butylquinoline;5-tert-butyl-4-(trifluoromethyl)-1,3-oxazole

C213H299F8N19O10 — CID 159335036

IUPAC3-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;1-tert-butyl-3,3-difluoroazetidine;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;2-tert-butyl-1H-indene;5-tert-butyl-2-methyl-1,3-dihydroisoindole;2-tert-butyl-4-methylfuran;6-tert-butyl-1-methylindazole;2-tert-butyl-4-methyl-1,3-oxazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methylpyridine;4-tert-butyl-1H-pyrazole;4-tert-butylpyridazine;3-tert-butylquinoline;5-tert-butyl-4-(trifluoromethyl)-1,3-oxazole
SMILESCC(C)(C)C1=CCCCO1.CC(C)(C)C1=Cc2ccccc2C1.CC(C)(C)N1CC(F)(F)C1.CC(C)(C)N1CCC(F)(F)C1.CC(C)(C)c1ccc2c(c1)NC(=O)C2.CC(C)(C)c1ccc2c(c1)OCCN2.CC(C)(C)c1ccc2ccoc2c1.CC(C)(C)c1ccc2ncoc2c1.CC(C)(C)c1ccccc1F.CC(C)(C)c1ccnnc1.CC(C)(C)c1cn[nH]c1.CC(C)(C)c1cnc2ccccc2c1.CC(C)(C)c1coc2ccccc12.CC(C)(C)c1nc2ccccc2o1.CC(C)(C)c1ocnc1C(F)(F)F.CN1Cc2ccc(C(C)(C)C)cc2C1.Cc1ccc(C(C)(C)C)cn1.Cc1coc(C(C)(C)C)c1.Cc1coc(C(C)(C)C)n1.Cn1cc(C(C)(C)C)cn1.Cn1ncc2ccc(C(C)(C)C)cc21
InChIInChI=1S/C13H19N.C13H15N.C13H16.C12H16N2.C12H15NO.C12H17NO.2C12H14O.2C11H13NO.C10H13F.C10H15N.C9H14O.C9H16O.C8H10F3NO.C8H15F2N.C8H14N2.C8H12N2.C8H13NO.C7H13F2N.C7H12N2/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;1-13(2,3)12-8-10-6-4-5-7-11(10)9-12;1-12(2,3)10-6-5-9-8-13-14(4)11(9)7-10;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)10-5-4-9-6-7-13-11(9)8-10;1-12(2,3)10-8-13-11-7-5-4-6-9(10)11;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-10(2,3)8-6-4-5-7-9(8)11;1-8-5-6-9(7-11-8)10(2,3)4;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)7-5-9-10(4)6-7;1-8(2,3)7-4-5-9-10-6-7;1-6-5-10-7(9-6)8(2,3)4;1-6(2,3)10-4-7(8,9)5-10;1-7(2,3)6-4-8-9-5-6/h5-7H,8-9H2,1-4H3;4-9H,1-3H3;4-8H,9H2,1-3H3;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;2*4-7H,1-3H3;4-7H,1-3H3;5-7H,1-4H3;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;4-5H2,1-3H3;4-5H,1-3H3,(H,8,9)
InChIKeyLFKRECOMLMFGOQ-UHFFFAOYSA-N
MW3437.84 g/mol
LogP57.74
Rot. Bonds

About 3-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;1-tert-butyl-3,3-difluoroazetidine;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;2-tert-butyl-1H-indene;5-tert-butyl-2-methyl-1,3-dihydroisoindole;2-tert-butyl-4-methylfuran;6-tert-butyl-1-methylindazole;2-tert-butyl-4-methyl-1,3-oxazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methylpyridine;4-tert-butyl-1H-pyrazole;4-tert-butylpyridazine;3-tert-butylquinoline;5-tert-butyl-4-(trifluoromethyl)-1,3-oxazole

3-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;1-tert-butyl-3,3-difluoroazetidine;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;2-tert-butyl-1H-indene;5-tert-butyl-2-methyl-1,3-dihydroisoindole;2-tert-butyl-4-methylfuran;6-tert-butyl-1-methylindazole;2-tert-butyl-4-methyl-1,3-oxazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methylpyridine;4-tert-butyl-1H-pyrazole;4-tert-butylpyridazine;3-tert-butylquinoline;5-tert-butyl-4-(trifluoromethyl)-1,3-oxazole (PubChem CID 159335036) has the molecular formula C213H299F8N19O10 and a molecular weight of 3437.84 g/mol. Its IUPAC name is 3-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;1-tert-butyl-3,3-difluoroazetidine;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;2-tert-butyl-1H-indene;5-tert-butyl-2-methyl-1,3-dihydroisoindole;2-tert-butyl-4-methylfuran;6-tert-butyl-1-methylindazole;2-tert-butyl-4-methyl-1,3-oxazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methylpyridine;4-tert-butyl-1H-pyrazole;4-tert-butylpyridazine;3-tert-butylquinoline;5-tert-butyl-4-(trifluoromethyl)-1,3-oxazole.

Molecular Properties

Compound Name3-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;1-tert-butyl-3,3-difluoroazetidine;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;2-tert-butyl-1H-indene;5-tert-butyl-2-methyl-1,3-dihydroisoindole;2-tert-butyl-4-methylfuran;6-tert-butyl-1-methylindazole;2-tert-butyl-4-methyl-1,3-oxazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methylpyridine;4-tert-butyl-1H-pyrazole;4-tert-butylpyridazine;3-tert-butylquinoline;5-tert-butyl-4-(trifluoromethyl)-1,3-oxazole
PubChem CID159335036
Molecular FormulaC213H299F8N19O10
Molecular Weight3437.84 g/mol
Exact Mass3435.33
IUPAC Name3-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;1-tert-butyl-3,3-difluoroazetidine;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;2-tert-butyl-1H-indene;5-tert-butyl-2-methyl-1,3-dihydroisoindole;2-tert-butyl-4-methylfuran;6-tert-butyl-1-methylindazole;2-tert-butyl-4-methyl-1,3-oxazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methylpyridine;4-tert-butyl-1H-pyrazole;4-tert-butylpyridazine;3-tert-butylquinoline;5-tert-butyl-4-(trifluoromethyl)-1,3-oxazole
SMILESCC(C)(C)C1=CCCCO1.CC(C)(C)C1=Cc2ccccc2C1.CC(C)(C)N1CC(F)(F)C1.CC(C)(C)N1CCC(F)(F)C1.CC(C)(C)c1ccc2c(c1)NC(=O)C2.CC(C)(C)c1ccc2c(c1)OCCN2.CC(C)(C)c1ccc2ccoc2c1.CC(C)(C)c1ccc2ncoc2c1.CC(C)(C)c1ccccc1F.CC(C)(C)c1ccnnc1.CC(C)(C)c1cn[nH]c1.CC(C)(C)c1cnc2ccccc2c1.CC(C)(C)c1coc2ccccc12.CC(C)(C)c1nc2ccccc2o1.CC(C)(C)c1ocnc1C(F)(F)F.CN1Cc2ccc(C(C)(C)C)cc2C1.Cc1ccc(C(C)(C)C)cn1.Cc1coc(C(C)(C)C)c1.Cc1coc(C(C)(C)C)n1.Cn1cc(C(C)(C)C)cn1.Cn1ncc2ccc(C(C)(C)C)cc21
InChIInChI=1S/C13H19N.C13H15N.C13H16.C12H16N2.C12H15NO.C12H17NO.2C12H14O.2C11H13NO.C10H13F.C10H15N.C9H14O.C9H16O.C8H10F3NO.C8H15F2N.C8H14N2.C8H12N2.C8H13NO.C7H13F2N.C7H12N2/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;1-13(2,3)12-8-10-6-4-5-7-11(10)9-12;1-12(2,3)10-6-5-9-8-13-14(4)11(9)7-10;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)10-5-4-9-6-7-13-11(9)8-10;1-12(2,3)10-8-13-11-7-5-4-6-9(10)11;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-10(2,3)8-6-4-5-7-9(8)11;1-8-5-6-9(7-11-8)10(2,3)4;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)7-5-9-10(4)6-7;1-8(2,3)7-4-5-9-10-6-7;1-6-5-10-7(9-6)8(2,3)4;1-6(2,3)10-4-7(8,9)5-10;1-7(2,3)6-4-8-9-5-6/h5-7H,8-9H2,1-4H3;4-9H,1-3H3;4-8H,9H2,1-3H3;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;2*4-7H,1-3H3;4-7H,1-3H3;5-7H,1-4H3;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;4-5H2,1-3H3;4-5H,1-3H3,(H,8,9)
InChIKeyLFKRECOMLMFGOQ-UHFFFAOYSA-N
XLogP57.74
TPSA328.73 Ų
H-Bond Donors3
H-Bond Acceptors27
Rotatable Bonds
Heavy Atoms250
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003437.84
LogP ≤ 557.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1027

Analyze 3-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;1-tert-butyl-3,3-difluoroazetidine;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;2-tert-butyl-1H-indene;5-tert-butyl-2-methyl-1,3-dihydroisoindole;2-tert-butyl-4-methylfuran;6-tert-butyl-1-methylindazole;2-tert-butyl-4-methyl-1,3-oxazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methylpyridine;4-tert-butyl-1H-pyrazole;4-tert-butylpyridazine;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
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;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 157290797
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-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(6-methyl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(2-fluorophenoxy)-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(2-fluorophenoxy)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(2-fluorophenoxy)-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide
CID 157572346
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
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
(E)-7-[4-[(E)-2-cyclobutyl-1-(1H-indazol-5-yl)-2-phenylethenyl]phenoxy]-N-methylhept-2-enamide;(E)-N-methyl-7-[4-[(E)-4,4,4-trifluoro-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]hept-2-enamide;(E)-N-methyl-7-[[5-[(Z)-4,4,4-trifluoro-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-enamide;(E)-N-propyl-7-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-enamide;10-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]decan-3-one;1-[2-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]ethyl]pyrrolidin-2-one
CID 158709605
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

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;1-tert-butyl-3,3-difluoroazetidine;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;2-tert-butyl-1H-indene;5-tert-butyl-2-methyl-1,3-dihydroisoindole;2-tert-butyl-4-methylfuran;6-tert-butyl-1-methylindazole;2-tert-butyl-4-methyl-1,3-oxazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methylpyridine;4-tert-butyl-1H-pyrazole;4-tert-butylpyridazine;3-tert-butylquinoline;5-tert-butyl-4-(trifluoromethyl)-1,3-oxazole?
The IUPAC name of 3-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;1-tert-butyl-3,3-difluoroazetidine;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;2-tert-butyl-1H-indene;5-tert-butyl-2-methyl-1,3-dihydroisoindole;2-tert-butyl-4-methylfuran;6-tert-butyl-1-methylindazole;2-tert-butyl-4-methyl-1,3-oxazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methylpyridine;4-tert-butyl-1H-pyrazole;4-tert-butylpyridazine;3-tert-butylquinoline;5-tert-butyl-4-(trifluoromethyl)-1,3-oxazole (CID 159335036) is 3-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;1-tert-butyl-3,3-difluoroazetidine;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;2-tert-butyl-1H-indene;5-tert-butyl-2-methyl-1,3-dihydroisoindole;2-tert-butyl-4-methylfuran;6-tert-butyl-1-methylindazole;2-tert-butyl-4-methyl-1,3-oxazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methylpyridine;4-tert-butyl-1H-pyrazole;4-tert-butylpyridazine;3-tert-butylquinoline;5-tert-butyl-4-(trifluoromethyl)-1,3-oxazole.
What is the SMILES notation for 3-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;1-tert-butyl-3,3-difluoroazetidine;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;2-tert-butyl-1H-indene;5-tert-butyl-2-methyl-1,3-dihydroisoindole;2-tert-butyl-4-methylfuran;6-tert-butyl-1-methylindazole;2-tert-butyl-4-methyl-1,3-oxazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methylpyridine;4-tert-butyl-1H-pyrazole;4-tert-butylpyridazine;3-tert-butylquinoline;5-tert-butyl-4-(trifluoromethyl)-1,3-oxazole?
The canonical SMILES for 3-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;1-tert-butyl-3,3-difluoroazetidine;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;2-tert-butyl-1H-indene;5-tert-butyl-2-methyl-1,3-dihydroisoindole;2-tert-butyl-4-methylfuran;6-tert-butyl-1-methylindazole;2-tert-butyl-4-methyl-1,3-oxazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methylpyridine;4-tert-butyl-1H-pyrazole;4-tert-butylpyridazine;3-tert-butylquinoline;5-tert-butyl-4-(trifluoromethyl)-1,3-oxazole is CC(C)(C)C1=CCCCO1.CC(C)(C)C1=Cc2ccccc2C1.CC(C)(C)N1CC(F)(F)C1.CC(C)(C)N1CCC(F)(F)C1.CC(C)(C)c1ccc2c(c1)NC(=O)C2.CC(C)(C)c1ccc2c(c1)OCCN2.CC(C)(C)c1ccc2ccoc2c1.CC(C)(C)c1ccc2ncoc2c1.CC(C)(C)c1ccccc1F.CC(C)(C)c1ccnnc1.CC(C)(C)c1cn[nH]c1.CC(C)(C)c1cnc2ccccc2c1.CC(C)(C)c1coc2ccccc12.CC(C)(C)c1nc2ccccc2o1.CC(C)(C)c1ocnc1C(F)(F)F.CN1Cc2ccc(C(C)(C)C)cc2C1.Cc1ccc(C(C)(C)C)cn1.Cc1coc(C(C)(C)C)c1.Cc1coc(C(C)(C)C)n1.Cn1cc(C(C)(C)C)cn1.Cn1ncc2ccc(C(C)(C)C)cc21.
What is the InChIKey of 3-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;1-tert-butyl-3,3-difluoroazetidine;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;2-tert-butyl-1H-indene;5-tert-butyl-2-methyl-1,3-dihydroisoindole;2-tert-butyl-4-methylfuran;6-tert-butyl-1-methylindazole;2-tert-butyl-4-methyl-1,3-oxazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methylpyridine;4-tert-butyl-1H-pyrazole;4-tert-butylpyridazine;3-tert-butylquinoline;5-tert-butyl-4-(trifluoromethyl)-1,3-oxazole?
The InChIKey is LFKRECOMLMFGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N.C13H15N.C13H16.C12H16N2.C12H15NO.C12H17NO.2C12H14O.2C11H13NO.C10H13F.C10H15N.C9H14O.C9H16O.C8H10F3NO.C8H15F2N.C8H14N2.C8H12N2.C8H13NO.C7H13F2N.C7H12N2/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;1-13(2,3)12-8-10-6-4-5-7-11(10)9-12;1-12(2,3)10-6-5-9-8-13-14(4)11(9)7-10;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)10-5-4-9-6-7-13-11(9)8-10;1-12(2,3)10-8-13-11-7-5-4-6-9(10)11;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-10(2,3)8-6-4-5-7-9(8)11;1-8-5-6-9(7-11-8)10(2,3)4;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)7-5-9-10(4)6-7;1-8(2,3)7-4-5-9-10-6-7;1-6-5-10-7(9-6)8(2,3)4;1-6(2,3)10-4-7(8,9)5-10;1-7(2,3)6-4-8-9-5-6/h5-7H,8-9H2,1-4H3;4-9H,1-3H3;4-8H,9H2,1-3H3;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;2*4-7H,1-3H3;4-7H,1-3H3;5-7H,1-4H3;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;4-5H2,1-3H3;4-5H,1-3H3,(H,8,9).
What are the key properties of 3-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;1-tert-butyl-3,3-difluoroazetidine;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;2-tert-butyl-1H-indene;5-tert-butyl-2-methyl-1,3-dihydroisoindole;2-tert-butyl-4-methylfuran;6-tert-butyl-1-methylindazole;2-tert-butyl-4-methyl-1,3-oxazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methylpyridine;4-tert-butyl-1H-pyrazole;4-tert-butylpyridazine;3-tert-butylquinoline;5-tert-butyl-4-(trifluoromethyl)-1,3-oxazole?
3-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;1-tert-butyl-3,3-difluoroazetidine;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;2-tert-butyl-1H-indene;5-tert-butyl-2-methyl-1,3-dihydroisoindole;2-tert-butyl-4-methylfuran;6-tert-butyl-1-methylindazole;2-tert-butyl-4-methyl-1,3-oxazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methylpyridine;4-tert-butyl-1H-pyrazole;4-tert-butylpyridazine;3-tert-butylquinoline;5-tert-butyl-4-(trifluoromethyl)-1,3-oxazole has a molecular weight of 3437.84 g/mol, XLogP of 57.74, 0 rotatable bonds, 3 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;1-tert-butyl-3,3-difluoroazetidine;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;2-tert-butyl-1H-indene;5-tert-butyl-2-methyl-1,3-dihydroisoindole;2-tert-butyl-4-methylfuran;6-tert-butyl-1-methylindazole;2-tert-butyl-4-methyl-1,3-oxazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methylpyridine;4-tert-butyl-1H-pyrazole;4-tert-butylpyridazine;3-tert-butylquinoline;5-tert-butyl-4-(trifluoromethyl)-1,3-oxazole is sourced from PubChem (CID 159335036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).