6-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzoxazole;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-3,3-difluoropyrrolidine;6-tert-butyl-1,3-dihydroindol-2-one;6-tert-butyl-3,4-dihydro-2H-pyran;1-tert-butyl-2-fluorobenzene;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

C165H239F8N17O7 — CID 159387642

About 6-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzoxazole;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-3,3-difluoropyrrolidine;6-tert-butyl-1,3-dihydroindol-2-one;6-tert-butyl-3,4-dihydro-2H-pyran;1-tert-butyl-2-fluorobenzene;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

6-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzoxazole;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-3,3-difluoropyrrolidine;6-tert-butyl-1,3-dihydroindol-2-one;6-tert-butyl-3,4-dihydro-2H-pyran;1-tert-butyl-2-fluorobenzene;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 159387642) has the molecular formula C165H239F8N17O7 and a molecular weight of 2724.82 g/mol. Its IUPAC name is 6-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzoxazole;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-3,3-difluoropyrrolidine;6-tert-butyl-1,3-dihydroindol-2-one;6-tert-butyl-3,4-dihydro-2H-pyran;1-tert-butyl-2-fluorobenzene;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 Name: 6-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzoxazole;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-3,3-difluoropyrrolidine;6-tert-butyl-1,3-dihydroindol-2-one;6-tert-butyl-3,4-dihydro-2H-pyran;1-tert-butyl-2-fluorobenzene;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: 159387642
• Molecular Formula: C165H239F8N17O7
• Molecular Weight: 2724.82 g/mol
• Exact Mass: 2722.87
• IUPAC Name: 6-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzoxazole;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-3,3-difluoropyrrolidine;6-tert-butyl-1,3-dihydroindol-2-one;6-tert-butyl-3,4-dihydro-2H-pyran;1-tert-butyl-2-fluorobenzene;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
• SMILES: CC(C)(C)C1=CCCCO1.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)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)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
• InChI: InChI=1S/C13H19N.C13H15N.C12H16N2.C12H15NO.C12H14O.C11H13NO.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;1-12(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)10-5-4-9-6-7-13-11(9)8-10;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;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;5-8H,1-4H3;4-5,7H,6H2,1-3H3,(H,13,14);4-8H,1-3H3;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)
• InChIKey: LLRZDXLKPHGKLC-UHFFFAOYSA-N
• XLogP: 44.42
• TPSA: 268.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 22
• Heavy Atoms: 197
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2724.82
LogP ≤ 5	44.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzoxazole;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-3,3-difluoropyrrolidine;6-tert-butyl-1,3-dihydroindol-2-one;6-tert-butyl-3,4-dihydro-2H-pyran;1-tert-butyl-2-fluorobenzene;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 6-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzoxazole;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-3,3-difluoropyrrolidine;6-tert-butyl-1,3-dihydroindol-2-one;6-tert-butyl-3,4-dihydro-2H-pyran;1-tert-butyl-2-fluorobenzene;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 159387642) is 6-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzoxazole;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-3,3-difluoropyrrolidine;6-tert-butyl-1,3-dihydroindol-2-one;6-tert-butyl-3,4-dihydro-2H-pyran;1-tert-butyl-2-fluorobenzene;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 6-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzoxazole;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-3,3-difluoropyrrolidine;6-tert-butyl-1,3-dihydroindol-2-one;6-tert-butyl-3,4-dihydro-2H-pyran;1-tert-butyl-2-fluorobenzene;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 6-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzoxazole;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-3,3-difluoropyrrolidine;6-tert-butyl-1,3-dihydroindol-2-one;6-tert-butyl-3,4-dihydro-2H-pyran;1-tert-butyl-2-fluorobenzene;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)N1CC(F)(F)C1.CC(C)(C)N1CCC(F)(F)C1.CC(C)(C)c1ccc2c(c1)NC(=O)C2.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)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 6-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzoxazole;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-3,3-difluoropyrrolidine;6-tert-butyl-1,3-dihydroindol-2-one;6-tert-butyl-3,4-dihydro-2H-pyran;1-tert-butyl-2-fluorobenzene;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 LLRZDXLKPHGKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N.C13H15N.C12H16N2.C12H15NO.C12H14O.C11H13NO.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;1-12(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)10-5-4-9-6-7-13-11(9)8-10;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;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;5-8H,1-4H3;4-5,7H,6H2,1-3H3,(H,13,14);4-8H,1-3H3;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 6-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzoxazole;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-3,3-difluoropyrrolidine;6-tert-butyl-1,3-dihydroindol-2-one;6-tert-butyl-3,4-dihydro-2H-pyran;1-tert-butyl-2-fluorobenzene;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?

6-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzoxazole;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-3,3-difluoropyrrolidine;6-tert-butyl-1,3-dihydroindol-2-one;6-tert-butyl-3,4-dihydro-2H-pyran;1-tert-butyl-2-fluorobenzene;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 2724.82 g/mol, XLogP of 44.42, 0 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 6-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzoxazole;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-3,3-difluoropyrrolidine;6-tert-butyl-1,3-dihydroindol-2-one;6-tert-butyl-3,4-dihydro-2H-pyran;1-tert-butyl-2-fluorobenzene;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 159387642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).