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;1-tert-butylnaphthalene;2-tert-butylnaphthalene;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;2,5-ditert-butylpyridine;2,6-ditert-butylpyridine

C184H227Cl3F3N9O7S — CID 167587148

IUPAC2-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;1-tert-butylnaphthalene;2-tert-butylnaphthalene;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;2,5-ditert-butylpyridine;2,6-ditert-butylpyridine
SMILESCC(C)(C)c1cc2cc(Cl)ccc2o1.CC(C)(C)c1cc2ccccc2[nH]1.CC(C)(C)c1cc2ccccc2o1.CC(C)(C)c1cc2cccnc2[nH]1.CC(C)(C)c1ccc(C(C)(C)C)nc1.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)c1ccc2ccccc2c1.CC(C)(C)c1cccc(C(C)(C)C)n1.CC(C)(C)c1cccc2ccccc12.CC(C)(C)c1coc2cc(F)ccc12.CC(C)(C)c1nc(-c2ccc(Cl)cc2)no1.CC(C)(C)c1nc2ccccc2s1.CC(C)(C)c1noc2cc(Cl)ccc12
InChIInChI=1S/2C14H16.2C13H21N.C13H18.C13H16.C12H13ClN2O.C12H13ClO.C12H13FO.C12H15N.C12H14O.C11H12ClNO.C11H12F2O2.C11H14N2.C11H13NS/c1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-12(2,3)10-7-8-11(14-9-10)13(4,5)6;1-12(2,3)10-8-7-9-11(14-10)13(4,5)6;2*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/h2*4-10H,1-3H3;2*7-9H,1-6H3;7-9H,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
InChIKeyHYISJHZKBOVBJS-UHFFFAOYSA-N
MW2872.32 g/mol
LogP55.33
Rot. Bonds1

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;1-tert-butylnaphthalene;2-tert-butylnaphthalene;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;2,5-ditert-butylpyridine;2,6-ditert-butylpyridine

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;1-tert-butylnaphthalene;2-tert-butylnaphthalene;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;2,5-ditert-butylpyridine;2,6-ditert-butylpyridine (PubChem CID 167587148) has the molecular formula C184H227Cl3F3N9O7S and a molecular weight of 2872.32 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;1-tert-butylnaphthalene;2-tert-butylnaphthalene;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;2,5-ditert-butylpyridine;2,6-ditert-butylpyridine.

Molecular Properties

Compound Name2-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;1-tert-butylnaphthalene;2-tert-butylnaphthalene;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;2,5-ditert-butylpyridine;2,6-ditert-butylpyridine
PubChem CID167587148
Molecular FormulaC184H227Cl3F3N9O7S
Molecular Weight2872.32 g/mol
Exact Mass2868.64
IUPAC Name2-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;1-tert-butylnaphthalene;2-tert-butylnaphthalene;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;2,5-ditert-butylpyridine;2,6-ditert-butylpyridine
SMILESCC(C)(C)c1cc2cc(Cl)ccc2o1.CC(C)(C)c1cc2ccccc2[nH]1.CC(C)(C)c1cc2ccccc2o1.CC(C)(C)c1cc2cccnc2[nH]1.CC(C)(C)c1ccc(C(C)(C)C)nc1.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)c1ccc2ccccc2c1.CC(C)(C)c1cccc(C(C)(C)C)n1.CC(C)(C)c1cccc2ccccc12.CC(C)(C)c1coc2cc(F)ccc12.CC(C)(C)c1nc(-c2ccc(Cl)cc2)no1.CC(C)(C)c1nc2ccccc2s1.CC(C)(C)c1noc2cc(Cl)ccc12
InChIInChI=1S/2C14H16.2C13H21N.C13H18.C13H16.C12H13ClN2O.C12H13ClO.C12H13FO.C12H15N.C12H14O.C11H12ClNO.C11H12F2O2.C11H14N2.C11H13NS/c1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-12(2,3)10-7-8-11(14-9-10)13(4,5)6;1-12(2,3)10-8-7-9-11(14-10)13(4,5)6;2*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/h2*4-10H,1-3H3;2*7-9H,1-6H3;7-9H,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
InChIKeyHYISJHZKBOVBJS-UHFFFAOYSA-N
XLogP55.33
TPSA205.97 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds1
Heavy Atoms207
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002872.32
LogP ≤ 555.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

Analyze 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;1-tert-butylnaphthalene;2-tert-butylnaphthalene;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;2,5-ditert-butylpyridine;2,6-ditert-butylpyridine with MolForge

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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;1-tert-butylnaphthalene;2-tert-butylnaphthalene;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;2,5-ditert-butylpyridine;2,6-ditert-butylpyridine?
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;1-tert-butylnaphthalene;2-tert-butylnaphthalene;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;2,5-ditert-butylpyridine;2,6-ditert-butylpyridine (CID 167587148) 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;1-tert-butylnaphthalene;2-tert-butylnaphthalene;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;2,5-ditert-butylpyridine;2,6-ditert-butylpyridine.
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;1-tert-butylnaphthalene;2-tert-butylnaphthalene;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;2,5-ditert-butylpyridine;2,6-ditert-butylpyridine?
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;1-tert-butylnaphthalene;2-tert-butylnaphthalene;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;2,5-ditert-butylpyridine;2,6-ditert-butylpyridine 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)c1ccc(C(C)(C)C)nc1.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)c1ccc2ccccc2c1.CC(C)(C)c1cccc(C(C)(C)C)n1.CC(C)(C)c1cccc2ccccc12.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;1-tert-butylnaphthalene;2-tert-butylnaphthalene;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;2,5-ditert-butylpyridine;2,6-ditert-butylpyridine?
The InChIKey is HYISJHZKBOVBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H16.2C13H21N.C13H18.C13H16.C12H13ClN2O.C12H13ClO.C12H13FO.C12H15N.C12H14O.C11H12ClNO.C11H12F2O2.C11H14N2.C11H13NS/c1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-12(2,3)10-7-8-11(14-9-10)13(4,5)6;1-12(2,3)10-8-7-9-11(14-10)13(4,5)6;2*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/h2*4-10H,1-3H3;2*7-9H,1-6H3;7-9H,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;1-tert-butylnaphthalene;2-tert-butylnaphthalene;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;2,5-ditert-butylpyridine;2,6-ditert-butylpyridine?
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;1-tert-butylnaphthalene;2-tert-butylnaphthalene;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;2,5-ditert-butylpyridine;2,6-ditert-butylpyridine has a molecular weight of 2872.32 g/mol, XLogP of 55.33, 1 rotatable bonds, 2 hydrogen bond donors, and 15 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;1-tert-butylnaphthalene;2-tert-butylnaphthalene;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;2,5-ditert-butylpyridine;2,6-ditert-butylpyridine is sourced from PubChem (CID 167587148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).