2-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-5-chloro-1-benzofuran;3-tert-butyl-6-chloro-1,2-benzoxazole;5-tert-butyl-3-(4-chlorophenyl)-1,2,4-oxadiazole;5-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1H-indene;3-tert-butyl-6-fluoro-1-benzofuran;5-tert-butyl-1H-indene;2-tert-butyl-1H-indole;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine

C130H153Cl3F3N7O7S — CID 167656270

About 2-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-5-chloro-1-benzofuran;3-tert-butyl-6-chloro-1,2-benzoxazole;5-tert-butyl-3-(4-chlorophenyl)-1,2,4-oxadiazole;5-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1H-indene;3-tert-butyl-6-fluoro-1-benzofuran;5-tert-butyl-1H-indene;2-tert-butyl-1H-indole;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine

2-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-5-chloro-1-benzofuran;3-tert-butyl-6-chloro-1,2-benzoxazole;5-tert-butyl-3-(4-chlorophenyl)-1,2,4-oxadiazole;5-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1H-indene;3-tert-butyl-6-fluoro-1-benzofuran;5-tert-butyl-1H-indene;2-tert-butyl-1H-indole;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 167656270) has the molecular formula C130H153Cl3F3N7O7S and a molecular weight of 2121.12 g/mol. Its IUPAC name is 2-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-5-chloro-1-benzofuran;3-tert-butyl-6-chloro-1,2-benzoxazole;5-tert-butyl-3-(4-chlorophenyl)-1,2,4-oxadiazole;5-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1H-indene;3-tert-butyl-6-fluoro-1-benzofuran;5-tert-butyl-1H-indene;2-tert-butyl-1H-indole;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

• Compound Name: 2-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-5-chloro-1-benzofuran;3-tert-butyl-6-chloro-1,2-benzoxazole;5-tert-butyl-3-(4-chlorophenyl)-1,2,4-oxadiazole;5-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1H-indene;3-tert-butyl-6-fluoro-1-benzofuran;5-tert-butyl-1H-indene;2-tert-butyl-1H-indole;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine
• PubChem CID: 167656270
• Molecular Formula: C130H153Cl3F3N7O7S
• Molecular Weight: 2121.12 g/mol
• Exact Mass: 2118.06
• IUPAC Name: 2-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-5-chloro-1-benzofuran;3-tert-butyl-6-chloro-1,2-benzoxazole;5-tert-butyl-3-(4-chlorophenyl)-1,2,4-oxadiazole;5-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1H-indene;3-tert-butyl-6-fluoro-1-benzofuran;5-tert-butyl-1H-indene;2-tert-butyl-1H-indole;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine
• SMILES: CC(C)(C)c1cc2cc(Cl)ccc2o1.CC(C)(C)c1cc2ccccc2[nH]1.CC(C)(C)c1cc2ccccc2o1.CC(C)(C)c1cc2cccnc2[nH]1.CC(C)(C)c1ccc2c(c1)C=CC2.CC(C)(C)c1ccc2c(c1)CCC2.CC(C)(C)c1ccc2c(c1)OC(F)(F)O2.CC(C)(C)c1coc2cc(F)ccc12.CC(C)(C)c1nc(-c2ccc(Cl)cc2)no1.CC(C)(C)c1nc2ccccc2s1.CC(C)(C)c1noc2cc(Cl)ccc12
• InChI: InChI=1S/C13H18.C13H16.C12H13ClN2O.C12H13ClO.C12H13FO.C12H15N.C12H14O.C11H12ClNO.C11H12F2O2.C11H14N2.C11H13NS/c2*1-13(2,3)12-8-7-10-5-4-6-11(10)9-12;1-12(2,3)11-14-10(15-16-11)8-4-6-9(13)7-5-8;1-12(2,3)11-7-8-6-9(13)4-5-10(8)14-11;1-12(2,3)10-7-14-11-6-8(13)4-5-9(10)11;2*1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-11(2,3)10-8-5-4-7(12)6-9(8)14-13-10;1-10(2,3)7-4-5-8-9(6-7)15-11(12,13)14-8;1-11(2,3)9-7-8-5-4-6-12-10(8)13-9;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10/h7-9H,4-6H2,1-3H3;4,6-9H,5H2,1-3H3;4-7H,1-3H3;2*4-7H,1-3H3;4-8,13H,1-3H3;4-8H,1-3H3;4-6H,1-3H3;4-6H,1-3H3;4-7H,1-3H3,(H,12,13);4-7H,1-3H3
• InChIKey: RHNDDRKBTHFGFW-UHFFFAOYSA-N
• XLogP: 39.70
• TPSA: 180.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 1
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2121.12
LogP ≤ 5	39.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-5-chloro-1-benzofuran;3-tert-butyl-6-chloro-1,2-benzoxazole;5-tert-butyl-3-(4-chlorophenyl)-1,2,4-oxadiazole;5-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1H-indene;3-tert-butyl-6-fluoro-1-benzofuran;5-tert-butyl-1H-indene;2-tert-butyl-1H-indole;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine?

The IUPAC name of 2-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-5-chloro-1-benzofuran;3-tert-butyl-6-chloro-1,2-benzoxazole;5-tert-butyl-3-(4-chlorophenyl)-1,2,4-oxadiazole;5-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1H-indene;3-tert-butyl-6-fluoro-1-benzofuran;5-tert-butyl-1H-indene;2-tert-butyl-1H-indole;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine (CID 167656270) is 2-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-5-chloro-1-benzofuran;3-tert-butyl-6-chloro-1,2-benzoxazole;5-tert-butyl-3-(4-chlorophenyl)-1,2,4-oxadiazole;5-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1H-indene;3-tert-butyl-6-fluoro-1-benzofuran;5-tert-butyl-1H-indene;2-tert-butyl-1H-indole;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine.

What is the SMILES notation for 2-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-5-chloro-1-benzofuran;3-tert-butyl-6-chloro-1,2-benzoxazole;5-tert-butyl-3-(4-chlorophenyl)-1,2,4-oxadiazole;5-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1H-indene;3-tert-butyl-6-fluoro-1-benzofuran;5-tert-butyl-1H-indene;2-tert-butyl-1H-indole;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine?

The canonical SMILES for 2-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-5-chloro-1-benzofuran;3-tert-butyl-6-chloro-1,2-benzoxazole;5-tert-butyl-3-(4-chlorophenyl)-1,2,4-oxadiazole;5-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1H-indene;3-tert-butyl-6-fluoro-1-benzofuran;5-tert-butyl-1H-indene;2-tert-butyl-1H-indole;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine is CC(C)(C)c1cc2cc(Cl)ccc2o1.CC(C)(C)c1cc2ccccc2[nH]1.CC(C)(C)c1cc2ccccc2o1.CC(C)(C)c1cc2cccnc2[nH]1.CC(C)(C)c1ccc2c(c1)C=CC2.CC(C)(C)c1ccc2c(c1)CCC2.CC(C)(C)c1ccc2c(c1)OC(F)(F)O2.CC(C)(C)c1coc2cc(F)ccc12.CC(C)(C)c1nc(-c2ccc(Cl)cc2)no1.CC(C)(C)c1nc2ccccc2s1.CC(C)(C)c1noc2cc(Cl)ccc12.

What is the InChIKey of 2-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-5-chloro-1-benzofuran;3-tert-butyl-6-chloro-1,2-benzoxazole;5-tert-butyl-3-(4-chlorophenyl)-1,2,4-oxadiazole;5-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1H-indene;3-tert-butyl-6-fluoro-1-benzofuran;5-tert-butyl-1H-indene;2-tert-butyl-1H-indole;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine?

The InChIKey is RHNDDRKBTHFGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18.C13H16.C12H13ClN2O.C12H13ClO.C12H13FO.C12H15N.C12H14O.C11H12ClNO.C11H12F2O2.C11H14N2.C11H13NS/c2*1-13(2,3)12-8-7-10-5-4-6-11(10)9-12;1-12(2,3)11-14-10(15-16-11)8-4-6-9(13)7-5-8;1-12(2,3)11-7-8-6-9(13)4-5-10(8)14-11;1-12(2,3)10-7-14-11-6-8(13)4-5-9(10)11;2*1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-11(2,3)10-8-5-4-7(12)6-9(8)14-13-10;1-10(2,3)7-4-5-8-9(6-7)15-11(12,13)14-8;1-11(2,3)9-7-8-5-4-6-12-10(8)13-9;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10/h7-9H,4-6H2,1-3H3;4,6-9H,5H2,1-3H3;4-7H,1-3H3;2*4-7H,1-3H3;4-8,13H,1-3H3;4-8H,1-3H3;4-6H,1-3H3;4-6H,1-3H3;4-7H,1-3H3,(H,12,13);4-7H,1-3H3.

What are the key properties of 2-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-5-chloro-1-benzofuran;3-tert-butyl-6-chloro-1,2-benzoxazole;5-tert-butyl-3-(4-chlorophenyl)-1,2,4-oxadiazole;5-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1H-indene;3-tert-butyl-6-fluoro-1-benzofuran;5-tert-butyl-1H-indene;2-tert-butyl-1H-indole;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine?

2-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-5-chloro-1-benzofuran;3-tert-butyl-6-chloro-1,2-benzoxazole;5-tert-butyl-3-(4-chlorophenyl)-1,2,4-oxadiazole;5-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1H-indene;3-tert-butyl-6-fluoro-1-benzofuran;5-tert-butyl-1H-indene;2-tert-butyl-1H-indole;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 2121.12 g/mol, XLogP of 39.70, 1 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-5-chloro-1-benzofuran;3-tert-butyl-6-chloro-1,2-benzoxazole;5-tert-butyl-3-(4-chlorophenyl)-1,2,4-oxadiazole;5-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1H-indene;3-tert-butyl-6-fluoro-1-benzofuran;5-tert-butyl-1H-indene;2-tert-butyl-1H-indole;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 167656270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).