5-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;4-tert-butyl-1H-indene;5-tert-butyl-1H-indene;6-tert-butyl-1H-indole;4-tert-butyl-1,2-oxazole;3-tert-butylpyridine;4-tert-butylpyridine;6-tert-butylquinoline;5-tert-butyl-1,3-thiazole

C107H138N6O3S — CID 158175380

About 5-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;4-tert-butyl-1H-indene;5-tert-butyl-1H-indene;6-tert-butyl-1H-indole;4-tert-butyl-1,2-oxazole;3-tert-butylpyridine;4-tert-butylpyridine;6-tert-butylquinoline;5-tert-butyl-1,3-thiazole

5-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;4-tert-butyl-1H-indene;5-tert-butyl-1H-indene;6-tert-butyl-1H-indole;4-tert-butyl-1,2-oxazole;3-tert-butylpyridine;4-tert-butylpyridine;6-tert-butylquinoline;5-tert-butyl-1,3-thiazole (PubChem CID 158175380) has the molecular formula C107H138N6O3S and a molecular weight of 1588.39 g/mol. Its IUPAC name is 5-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;4-tert-butyl-1H-indene;5-tert-butyl-1H-indene;6-tert-butyl-1H-indole;4-tert-butyl-1,2-oxazole;3-tert-butylpyridine;4-tert-butylpyridine;6-tert-butylquinoline;5-tert-butyl-1,3-thiazole.

Molecular Properties

• Compound Name: 5-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;4-tert-butyl-1H-indene;5-tert-butyl-1H-indene;6-tert-butyl-1H-indole;4-tert-butyl-1,2-oxazole;3-tert-butylpyridine;4-tert-butylpyridine;6-tert-butylquinoline;5-tert-butyl-1,3-thiazole
• PubChem CID: 158175380
• Molecular Formula: C107H138N6O3S
• Molecular Weight: 1588.39 g/mol
• Exact Mass: 1587.06
• IUPAC Name: 5-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;4-tert-butyl-1H-indene;5-tert-butyl-1H-indene;6-tert-butyl-1H-indole;4-tert-butyl-1,2-oxazole;3-tert-butylpyridine;4-tert-butylpyridine;6-tert-butylquinoline;5-tert-butyl-1,3-thiazole
• SMILES: CC(C)(C)c1ccc2c(c1)C=CC2.CC(C)(C)c1ccc2cc[nH]c2c1.CC(C)(C)c1ccc2ccoc2c1.CC(C)(C)c1ccc2ncccc2c1.CC(C)(C)c1ccc2occc2c1.CC(C)(C)c1cccc2c1C=CC2.CC(C)(C)c1cccnc1.CC(C)(C)c1ccncc1.CC(C)(C)c1cncs1.CC(C)(C)c1cnoc1
• InChI: InChI=1S/C13H15N.2C13H16.C12H15N.2C12H14O.2C9H13N.C7H11NO.C7H11NS/c1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12;1-13(2,3)12-9-5-7-10-6-4-8-11(10)12;1-13(2,3)12-8-7-10-5-4-6-11(10)9-12;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-4-8-5-9-6/h4-9H,1-3H3;4-5,7-9H,6H2,1-3H3;4,6-9H,5H2,1-3H3;4-8,13H,1-3H3;2*4-8H,1-3H3;2*4-7H,1-3H3;2*4-5H,1-3H3
• InChIKey: FXXZQXMAAUCTBM-UHFFFAOYSA-N
• XLogP: 30.74
• TPSA: 119.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1588.39
LogP ≤ 5	30.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;4-tert-butyl-1H-indene;5-tert-butyl-1H-indene;6-tert-butyl-1H-indole;4-tert-butyl-1,2-oxazole;3-tert-butylpyridine;4-tert-butylpyridine;6-tert-butylquinoline;5-tert-butyl-1,3-thiazole?

The IUPAC name of 5-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;4-tert-butyl-1H-indene;5-tert-butyl-1H-indene;6-tert-butyl-1H-indole;4-tert-butyl-1,2-oxazole;3-tert-butylpyridine;4-tert-butylpyridine;6-tert-butylquinoline;5-tert-butyl-1,3-thiazole (CID 158175380) is 5-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;4-tert-butyl-1H-indene;5-tert-butyl-1H-indene;6-tert-butyl-1H-indole;4-tert-butyl-1,2-oxazole;3-tert-butylpyridine;4-tert-butylpyridine;6-tert-butylquinoline;5-tert-butyl-1,3-thiazole.

What is the SMILES notation for 5-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;4-tert-butyl-1H-indene;5-tert-butyl-1H-indene;6-tert-butyl-1H-indole;4-tert-butyl-1,2-oxazole;3-tert-butylpyridine;4-tert-butylpyridine;6-tert-butylquinoline;5-tert-butyl-1,3-thiazole?

The canonical SMILES for 5-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;4-tert-butyl-1H-indene;5-tert-butyl-1H-indene;6-tert-butyl-1H-indole;4-tert-butyl-1,2-oxazole;3-tert-butylpyridine;4-tert-butylpyridine;6-tert-butylquinoline;5-tert-butyl-1,3-thiazole is CC(C)(C)c1ccc2c(c1)C=CC2.CC(C)(C)c1ccc2cc[nH]c2c1.CC(C)(C)c1ccc2ccoc2c1.CC(C)(C)c1ccc2ncccc2c1.CC(C)(C)c1ccc2occc2c1.CC(C)(C)c1cccc2c1C=CC2.CC(C)(C)c1cccnc1.CC(C)(C)c1ccncc1.CC(C)(C)c1cncs1.CC(C)(C)c1cnoc1.

What is the InChIKey of 5-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;4-tert-butyl-1H-indene;5-tert-butyl-1H-indene;6-tert-butyl-1H-indole;4-tert-butyl-1,2-oxazole;3-tert-butylpyridine;4-tert-butylpyridine;6-tert-butylquinoline;5-tert-butyl-1,3-thiazole?

The InChIKey is FXXZQXMAAUCTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N.2C13H16.C12H15N.2C12H14O.2C9H13N.C7H11NO.C7H11NS/c1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12;1-13(2,3)12-9-5-7-10-6-4-8-11(10)12;1-13(2,3)12-8-7-10-5-4-6-11(10)9-12;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-4-8-5-9-6/h4-9H,1-3H3;4-5,7-9H,6H2,1-3H3;4,6-9H,5H2,1-3H3;4-8,13H,1-3H3;2*4-8H,1-3H3;2*4-7H,1-3H3;2*4-5H,1-3H3.

What are the key properties of 5-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;4-tert-butyl-1H-indene;5-tert-butyl-1H-indene;6-tert-butyl-1H-indole;4-tert-butyl-1,2-oxazole;3-tert-butylpyridine;4-tert-butylpyridine;6-tert-butylquinoline;5-tert-butyl-1,3-thiazole?

5-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;4-tert-butyl-1H-indene;5-tert-butyl-1H-indene;6-tert-butyl-1H-indole;4-tert-butyl-1,2-oxazole;3-tert-butylpyridine;4-tert-butylpyridine;6-tert-butylquinoline;5-tert-butyl-1,3-thiazole has a molecular weight of 1588.39 g/mol, XLogP of 30.74, 0 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;4-tert-butyl-1H-indene;5-tert-butyl-1H-indene;6-tert-butyl-1H-indole;4-tert-butyl-1,2-oxazole;3-tert-butylpyridine;4-tert-butylpyridine;6-tert-butylquinoline;5-tert-butyl-1,3-thiazole is sourced from PubChem (CID 158175380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).