5-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;7-tert-butyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;7-tert-butyl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;5-tert-butyl-2-methyl-1,3-benzothiazole;5-tert-butyl-2-methyl-1,3-benzoxazole;2-tert-butyl-1,8-naphthyridine;2-tert-butylquinoline;7-tert-butylquinoline;6-tert-butylquinoxaline;2,3-dihydro-1-benzofuran;2,2-dimethyl-1,3-benzodioxole;pentakis(2,2-dimethylpropane);(2S)-2-methyl-2,3-dihydro-1-benzofuran;(2R)-2-methyl-2,3-dihydro-1-benzofuran;2-methyl-2,3-dihydro-1-benzofuran

C199H268N12O14S2 — CID 162055609

About 5-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;7-tert-butyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;7-tert-butyl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;5-tert-butyl-2-methyl-1,3-benzothiazole;5-tert-butyl-2-methyl-1,3-benzoxazole;2-tert-butyl-1,8-naphthyridine;2-tert-butylquinoline;7-tert-butylquinoline;6-tert-butylquinoxaline;2,3-dihydro-1-benzofuran;2,2-dimethyl-1,3-benzodioxole;pentakis(2,2-dimethylpropane);(2S)-2-methyl-2,3-dihydro-1-benzofuran;(2R)-2-methyl-2,3-dihydro-1-benzofuran;2-methyl-2,3-dihydro-1-benzofuran

5-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;7-tert-butyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;7-tert-butyl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;5-tert-butyl-2-methyl-1,3-benzothiazole;5-tert-butyl-2-methyl-1,3-benzoxazole;2-tert-butyl-1,8-naphthyridine;2-tert-butylquinoline;7-tert-butylquinoline;6-tert-butylquinoxaline;2,3-dihydro-1-benzofuran;2,2-dimethyl-1,3-benzodioxole;pentakis(2,2-dimethylpropane);(2S)-2-methyl-2,3-dihydro-1-benzofuran;(2R)-2-methyl-2,3-dihydro-1-benzofuran;2-methyl-2,3-dihydro-1-benzofuran (PubChem CID 162055609) has the molecular formula C199H268N12O14S2 and a molecular weight of 3116.54 g/mol. Its IUPAC name is 5-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;7-tert-butyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;7-tert-butyl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;5-tert-butyl-2-methyl-1,3-benzothiazole;5-tert-butyl-2-methyl-1,3-benzoxazole;2-tert-butyl-1,8-naphthyridine;2-tert-butylquinoline;7-tert-butylquinoline;6-tert-butylquinoxaline;2,3-dihydro-1-benzofuran;2,2-dimethyl-1,3-benzodioxole;pentakis(2,2-dimethylpropane);(2S)-2-methyl-2,3-dihydro-1-benzofuran;(2R)-2-methyl-2,3-dihydro-1-benzofuran;2-methyl-2,3-dihydro-1-benzofuran.

Molecular Properties

• Compound Name: 5-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;7-tert-butyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;7-tert-butyl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;5-tert-butyl-2-methyl-1,3-benzothiazole;5-tert-butyl-2-methyl-1,3-benzoxazole;2-tert-butyl-1,8-naphthyridine;2-tert-butylquinoline;7-tert-butylquinoline;6-tert-butylquinoxaline;2,3-dihydro-1-benzofuran;2,2-dimethyl-1,3-benzodioxole;pentakis(2,2-dimethylpropane);(2S)-2-methyl-2,3-dihydro-1-benzofuran;(2R)-2-methyl-2,3-dihydro-1-benzofuran;2-methyl-2,3-dihydro-1-benzofuran
• PubChem CID: 162055609
• Molecular Formula: C199H268N12O14S2
• Molecular Weight: 3116.54 g/mol
• Exact Mass: 3114.01
• IUPAC Name: 5-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;7-tert-butyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;7-tert-butyl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;5-tert-butyl-2-methyl-1,3-benzothiazole;5-tert-butyl-2-methyl-1,3-benzoxazole;2-tert-butyl-1,8-naphthyridine;2-tert-butylquinoline;7-tert-butylquinoline;6-tert-butylquinoxaline;2,3-dihydro-1-benzofuran;2,2-dimethyl-1,3-benzodioxole;pentakis(2,2-dimethylpropane);(2S)-2-methyl-2,3-dihydro-1-benzofuran;(2R)-2-methyl-2,3-dihydro-1-benzofuran;2-methyl-2,3-dihydro-1-benzofuran
• SMILES: CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)c1cc2c(cn1)OCCO2.CC(C)(C)c1ccc2c(c1)OCCO2.CC(C)(C)c1ccc2ccccc2n1.CC(C)(C)c1ccc2cccnc2c1.CC(C)(C)c1ccc2cccnc2n1.CC(C)(C)c1ccc2nccnc2c1.CC(C)(C)c1ccc2ocnc2c1.CC(C)(C)c1ccc2scnc2c1.CC(C)(C)c1cnc2c(c1)OCCO2.CC1(C)Oc2ccccc2O1.CC1Cc2ccccc2O1.C[C@@H]1Cc2ccccc2O1.C[C@H]1Cc2ccccc2O1.Cc1nc2cc(C(C)(C)C)ccc2o1.Cc1nc2cc(C(C)(C)C)ccc2s1.c1ccc2c(c1)CCO2
• InChI: InChI=1S/2C13H15N.2C12H14N2.C12H15NO.C12H15NS.C12H16O2.2C11H15NO2.C11H13NO.C11H13NS.C9H10O2.3C9H10O.C8H8O.5C5H12/c1-13(2,3)11-7-6-10-5-4-8-14-12(10)9-11;1-13(2,3)12-9-8-10-6-4-5-7-11(10)14-12;1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10;1-12(2,3)10-7-6-9-5-4-8-13-11(9)14-10;2*1-8-13-10-7-9(12(2,3)4)5-6-11(10)14-8;1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10;1-11(2,3)10-6-8-9(7-12-10)14-5-4-13-8;1-11(2,3)8-6-9-10(12-7-8)14-5-4-13-9;2*1-11(2,3)8-4-5-10-9(6-8)12-7-13-10;1-9(2)10-7-5-3-4-6-8(7)11-9;3*1-7-6-8-4-2-3-5-9(8)10-7;1-2-4-8-7(3-1)5-6-9-8;5*1-5(2,3)4/h2*4-9H,1-3H3;2*4-8H,1-3H3;2*5-7H,1-4H3;4-5,8H,6-7H2,1-3H3;2*6-7H,4-5H2,1-3H3;2*4-7H,1-3H3;3-6H,1-2H3;3*2-5,7H,6H2,1H3;1-4H,5-6H2;5*1-4H3/t;;;;;;;;;;;;2*7-;;;;;;;/m............10......./s1
• InChIKey: YZDDEOCQONYWLW-RULMAMBQSA-N
• XLogP: 54.14
• TPSA: 291.72 Ų
• H-Bond Acceptors: 28
• Heavy Atoms: 227
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3116.54
LogP ≤ 5	54.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;7-tert-butyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;7-tert-butyl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;5-tert-butyl-2-methyl-1,3-benzothiazole;5-tert-butyl-2-methyl-1,3-benzoxazole;2-tert-butyl-1,8-naphthyridine;2-tert-butylquinoline;7-tert-butylquinoline;6-tert-butylquinoxaline;2,3-dihydro-1-benzofuran;2,2-dimethyl-1,3-benzodioxole;pentakis(2,2-dimethylpropane);(2S)-2-methyl-2,3-dihydro-1-benzofuran;(2R)-2-methyl-2,3-dihydro-1-benzofuran;2-methyl-2,3-dihydro-1-benzofuran?

The IUPAC name of 5-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;7-tert-butyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;7-tert-butyl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;5-tert-butyl-2-methyl-1,3-benzothiazole;5-tert-butyl-2-methyl-1,3-benzoxazole;2-tert-butyl-1,8-naphthyridine;2-tert-butylquinoline;7-tert-butylquinoline;6-tert-butylquinoxaline;2,3-dihydro-1-benzofuran;2,2-dimethyl-1,3-benzodioxole;pentakis(2,2-dimethylpropane);(2S)-2-methyl-2,3-dihydro-1-benzofuran;(2R)-2-methyl-2,3-dihydro-1-benzofuran;2-methyl-2,3-dihydro-1-benzofuran (CID 162055609) is 5-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;7-tert-butyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;7-tert-butyl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;5-tert-butyl-2-methyl-1,3-benzothiazole;5-tert-butyl-2-methyl-1,3-benzoxazole;2-tert-butyl-1,8-naphthyridine;2-tert-butylquinoline;7-tert-butylquinoline;6-tert-butylquinoxaline;2,3-dihydro-1-benzofuran;2,2-dimethyl-1,3-benzodioxole;pentakis(2,2-dimethylpropane);(2S)-2-methyl-2,3-dihydro-1-benzofuran;(2R)-2-methyl-2,3-dihydro-1-benzofuran;2-methyl-2,3-dihydro-1-benzofuran.

What is the SMILES notation for 5-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;7-tert-butyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;7-tert-butyl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;5-tert-butyl-2-methyl-1,3-benzothiazole;5-tert-butyl-2-methyl-1,3-benzoxazole;2-tert-butyl-1,8-naphthyridine;2-tert-butylquinoline;7-tert-butylquinoline;6-tert-butylquinoxaline;2,3-dihydro-1-benzofuran;2,2-dimethyl-1,3-benzodioxole;pentakis(2,2-dimethylpropane);(2S)-2-methyl-2,3-dihydro-1-benzofuran;(2R)-2-methyl-2,3-dihydro-1-benzofuran;2-methyl-2,3-dihydro-1-benzofuran?

The canonical SMILES for 5-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;7-tert-butyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;7-tert-butyl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;5-tert-butyl-2-methyl-1,3-benzothiazole;5-tert-butyl-2-methyl-1,3-benzoxazole;2-tert-butyl-1,8-naphthyridine;2-tert-butylquinoline;7-tert-butylquinoline;6-tert-butylquinoxaline;2,3-dihydro-1-benzofuran;2,2-dimethyl-1,3-benzodioxole;pentakis(2,2-dimethylpropane);(2S)-2-methyl-2,3-dihydro-1-benzofuran;(2R)-2-methyl-2,3-dihydro-1-benzofuran;2-methyl-2,3-dihydro-1-benzofuran is CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)c1cc2c(cn1)OCCO2.CC(C)(C)c1ccc2c(c1)OCCO2.CC(C)(C)c1ccc2ccccc2n1.CC(C)(C)c1ccc2cccnc2c1.CC(C)(C)c1ccc2cccnc2n1.CC(C)(C)c1ccc2nccnc2c1.CC(C)(C)c1ccc2ocnc2c1.CC(C)(C)c1ccc2scnc2c1.CC(C)(C)c1cnc2c(c1)OCCO2.CC1(C)Oc2ccccc2O1.CC1Cc2ccccc2O1.C[C@@H]1Cc2ccccc2O1.C[C@H]1Cc2ccccc2O1.Cc1nc2cc(C(C)(C)C)ccc2o1.Cc1nc2cc(C(C)(C)C)ccc2s1.c1ccc2c(c1)CCO2.

What is the InChIKey of 5-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;7-tert-butyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;7-tert-butyl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;5-tert-butyl-2-methyl-1,3-benzothiazole;5-tert-butyl-2-methyl-1,3-benzoxazole;2-tert-butyl-1,8-naphthyridine;2-tert-butylquinoline;7-tert-butylquinoline;6-tert-butylquinoxaline;2,3-dihydro-1-benzofuran;2,2-dimethyl-1,3-benzodioxole;pentakis(2,2-dimethylpropane);(2S)-2-methyl-2,3-dihydro-1-benzofuran;(2R)-2-methyl-2,3-dihydro-1-benzofuran;2-methyl-2,3-dihydro-1-benzofuran?

The InChIKey is YZDDEOCQONYWLW-RULMAMBQSA-N. The full InChI is InChI=1S/2C13H15N.2C12H14N2.C12H15NO.C12H15NS.C12H16O2.2C11H15NO2.C11H13NO.C11H13NS.C9H10O2.3C9H10O.C8H8O.5C5H12/c1-13(2,3)11-7-6-10-5-4-8-14-12(10)9-11;1-13(2,3)12-9-8-10-6-4-5-7-11(10)14-12;1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10;1-12(2,3)10-7-6-9-5-4-8-13-11(9)14-10;2*1-8-13-10-7-9(12(2,3)4)5-6-11(10)14-8;1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10;1-11(2,3)10-6-8-9(7-12-10)14-5-4-13-8;1-11(2,3)8-6-9-10(12-7-8)14-5-4-13-9;2*1-11(2,3)8-4-5-10-9(6-8)12-7-13-10;1-9(2)10-7-5-3-4-6-8(7)11-9;3*1-7-6-8-4-2-3-5-9(8)10-7;1-2-4-8-7(3-1)5-6-9-8;5*1-5(2,3)4/h2*4-9H,1-3H3;2*4-8H,1-3H3;2*5-7H,1-4H3;4-5,8H,6-7H2,1-3H3;2*6-7H,4-5H2,1-3H3;2*4-7H,1-3H3;3-6H,1-2H3;3*2-5,7H,6H2,1H3;1-4H,5-6H2;5*1-4H3/t;;;;;;;;;;;;2*7-;;;;;;;/m............10......./s1.

What are the key properties of 5-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;7-tert-butyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;7-tert-butyl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;5-tert-butyl-2-methyl-1,3-benzothiazole;5-tert-butyl-2-methyl-1,3-benzoxazole;2-tert-butyl-1,8-naphthyridine;2-tert-butylquinoline;7-tert-butylquinoline;6-tert-butylquinoxaline;2,3-dihydro-1-benzofuran;2,2-dimethyl-1,3-benzodioxole;pentakis(2,2-dimethylpropane);(2S)-2-methyl-2,3-dihydro-1-benzofuran;(2R)-2-methyl-2,3-dihydro-1-benzofuran;2-methyl-2,3-dihydro-1-benzofuran?

5-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;7-tert-butyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;7-tert-butyl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;5-tert-butyl-2-methyl-1,3-benzothiazole;5-tert-butyl-2-methyl-1,3-benzoxazole;2-tert-butyl-1,8-naphthyridine;2-tert-butylquinoline;7-tert-butylquinoline;6-tert-butylquinoxaline;2,3-dihydro-1-benzofuran;2,2-dimethyl-1,3-benzodioxole;pentakis(2,2-dimethylpropane);(2S)-2-methyl-2,3-dihydro-1-benzofuran;(2R)-2-methyl-2,3-dihydro-1-benzofuran;2-methyl-2,3-dihydro-1-benzofuran has a molecular weight of 3116.54 g/mol, XLogP of 54.14, 0 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;7-tert-butyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;7-tert-butyl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;5-tert-butyl-2-methyl-1,3-benzothiazole;5-tert-butyl-2-methyl-1,3-benzoxazole;2-tert-butyl-1,8-naphthyridine;2-tert-butylquinoline;7-tert-butylquinoline;6-tert-butylquinoxaline;2,3-dihydro-1-benzofuran;2,2-dimethyl-1,3-benzodioxole;pentakis(2,2-dimethylpropane);(2S)-2-methyl-2,3-dihydro-1-benzofuran;(2R)-2-methyl-2,3-dihydro-1-benzofuran;2-methyl-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 162055609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).