2,3-ditert-butyl-1-benzofuran;4,5-ditert-butyl-2,1-benzothiazole;5,6-ditert-butyl-1,2-benzothiazole;5,6-ditert-butyl-1,3-benzothiazole;2,3-ditert-butyl-1-benzothiophene;4,5-ditert-butyl-1,2-benzoxazole;5,6-ditert-butyl-1,3-benzoxazole;5,6-ditert-butyl-2,1-benzoxazole;2,3-ditert-butylfuro[3,4-b]pyridine;5,6-ditert-butylfuro[2,3-b]pyridine;5,6-ditert-butylfuro[3,2-b]pyridine;4,5-ditert-butylfuro[2,3-c]pyridine;6,7-ditert-butylfuro[3,4-c]pyridine;6,7-ditert-butylpyrazolo[1,5-a]pyrazine;4,5-ditert-butylthieno[2,3-b]pyridine;6,7-ditert-butylthieno[3,2-b]pyridine;4,5-ditert-butylthieno[2,3-c]pyridine;5,6-ditert-butyltriazolo[1,5-a]pyridine

C270H380N20O9S7 — CID 157057682

IUPAC2,3-ditert-butyl-1-benzofuran;4,5-ditert-butyl-2,1-benzothiazole;5,6-ditert-butyl-1,2-benzothiazole;5,6-ditert-butyl-1,3-benzothiazole;2,3-ditert-butyl-1-benzothiophene;4,5-ditert-butyl-1,2-benzoxazole;5,6-ditert-butyl-1,3-benzoxazole;5,6-ditert-butyl-2,1-benzoxazole;2,3-ditert-butylfuro[3,4-b]pyridine;5,6-ditert-butylfuro[2,3-b]pyridine;5,6-ditert-butylfuro[3,2-b]pyridine;4,5-ditert-butylfuro[2,3-c]pyridine;6,7-ditert-butylfuro[3,4-c]pyridine;6,7-ditert-butylpyrazolo[1,5-a]pyrazine;4,5-ditert-butylthieno[2,3-b]pyridine;6,7-ditert-butylthieno[3,2-b]pyridine;4,5-ditert-butylthieno[2,3-c]pyridine;5,6-ditert-butyltriazolo[1,5-a]pyridine
SMILESCC(C)(C)c1cc2ccoc2nc1C(C)(C)C.CC(C)(C)c1cc2cnnn2cc1C(C)(C)C.CC(C)(C)c1cc2cnsc2cc1C(C)(C)C.CC(C)(C)c1cc2cocc2nc1C(C)(C)C.CC(C)(C)c1cc2conc2cc1C(C)(C)C.CC(C)(C)c1cc2ncoc2cc1C(C)(C)C.CC(C)(C)c1cc2ncsc2cc1C(C)(C)C.CC(C)(C)c1cc2occc2nc1C(C)(C)C.CC(C)(C)c1ccc2nscc2c1C(C)(C)C.CC(C)(C)c1ccc2oncc2c1C(C)(C)C.CC(C)(C)c1cnc2ccsc2c1C(C)(C)C.CC(C)(C)c1cnc2sccc2c1C(C)(C)C.CC(C)(C)c1ncc2ccnn2c1C(C)(C)C.CC(C)(C)c1ncc2cocc2c1C(C)(C)C.CC(C)(C)c1ncc2occc2c1C(C)(C)C.CC(C)(C)c1ncc2sccc2c1C(C)(C)C.CC(C)(C)c1oc2ccccc2c1C(C)(C)C.CC(C)(C)c1sc2ccccc2c1C(C)(C)C
InChIInChI=1S/C16H22O.C16H22S.8C15H21NO.6C15H21NS.2C14H21N3/c2*1-15(2,3)13-11-9-7-8-10-12(11)17-14(13)16(4,5)6;1-14(2,3)10-7-12-13(17-9-16-12)8-11(10)15(4,5)6;1-14(2,3)11-7-10-9-17-16-13(10)8-12(11)15(4,5)6;1-14(2,3)12-11-9-17-8-10(11)7-16-13(12)15(4,5)6;1-14(2,3)11-7-10-8-17-9-12(10)16-13(11)15(4,5)6;1-14(2,3)10-9-12-11(7-8-17-12)16-13(10)15(4,5)6;1-14(2,3)11-7-8-12-10(9-16-17-12)13(11)15(4,5)6;1-14(2,3)12-10-7-8-17-11(10)9-16-13(12)15(4,5)6;1-14(2,3)11-9-10-7-8-17-13(10)16-12(11)15(4,5)6;1-14(2,3)10-7-12-13(17-9-16-12)8-11(10)15(4,5)6;1-14(2,3)11-7-10-9-16-17-13(10)8-12(11)15(4,5)6;1-14(2,3)10-9-16-11-7-8-17-13(11)12(10)15(4,5)6;1-14(2,3)11-7-8-12-10(9-17-16-12)13(11)15(4,5)6;1-14(2,3)11-9-16-13-10(7-8-17-13)12(11)15(4,5)6;1-14(2,3)12-10-7-8-17-11(10)9-16-13(12)15(4,5)6;1-13(2,3)11-7-10-8-15-16-17(10)9-12(11)14(4,5)6;1-13(2,3)11-12(14(4,5)6)17-10(9-15-11)7-8-16-17/h2*7-10H,1-6H3;16*7-9H,1-6H3
InChIKeyAAYIPMGESWKGOO-UHFFFAOYSA-N
MW4274.61 g/mol
LogP81.90
Rot. Bonds

About 2,3-ditert-butyl-1-benzofuran;4,5-ditert-butyl-2,1-benzothiazole;5,6-ditert-butyl-1,2-benzothiazole;5,6-ditert-butyl-1,3-benzothiazole;2,3-ditert-butyl-1-benzothiophene;4,5-ditert-butyl-1,2-benzoxazole;5,6-ditert-butyl-1,3-benzoxazole;5,6-ditert-butyl-2,1-benzoxazole;2,3-ditert-butylfuro[3,4-b]pyridine;5,6-ditert-butylfuro[2,3-b]pyridine;5,6-ditert-butylfuro[3,2-b]pyridine;4,5-ditert-butylfuro[2,3-c]pyridine;6,7-ditert-butylfuro[3,4-c]pyridine;6,7-ditert-butylpyrazolo[1,5-a]pyrazine;4,5-ditert-butylthieno[2,3-b]pyridine;6,7-ditert-butylthieno[3,2-b]pyridine;4,5-ditert-butylthieno[2,3-c]pyridine;5,6-ditert-butyltriazolo[1,5-a]pyridine

2,3-ditert-butyl-1-benzofuran;4,5-ditert-butyl-2,1-benzothiazole;5,6-ditert-butyl-1,2-benzothiazole;5,6-ditert-butyl-1,3-benzothiazole;2,3-ditert-butyl-1-benzothiophene;4,5-ditert-butyl-1,2-benzoxazole;5,6-ditert-butyl-1,3-benzoxazole;5,6-ditert-butyl-2,1-benzoxazole;2,3-ditert-butylfuro[3,4-b]pyridine;5,6-ditert-butylfuro[2,3-b]pyridine;5,6-ditert-butylfuro[3,2-b]pyridine;4,5-ditert-butylfuro[2,3-c]pyridine;6,7-ditert-butylfuro[3,4-c]pyridine;6,7-ditert-butylpyrazolo[1,5-a]pyrazine;4,5-ditert-butylthieno[2,3-b]pyridine;6,7-ditert-butylthieno[3,2-b]pyridine;4,5-ditert-butylthieno[2,3-c]pyridine;5,6-ditert-butyltriazolo[1,5-a]pyridine (PubChem CID 157057682) has the molecular formula C270H380N20O9S7 and a molecular weight of 4274.61 g/mol. Its IUPAC name is 2,3-ditert-butyl-1-benzofuran;4,5-ditert-butyl-2,1-benzothiazole;5,6-ditert-butyl-1,2-benzothiazole;5,6-ditert-butyl-1,3-benzothiazole;2,3-ditert-butyl-1-benzothiophene;4,5-ditert-butyl-1,2-benzoxazole;5,6-ditert-butyl-1,3-benzoxazole;5,6-ditert-butyl-2,1-benzoxazole;2,3-ditert-butylfuro[3,4-b]pyridine;5,6-ditert-butylfuro[2,3-b]pyridine;5,6-ditert-butylfuro[3,2-b]pyridine;4,5-ditert-butylfuro[2,3-c]pyridine;6,7-ditert-butylfuro[3,4-c]pyridine;6,7-ditert-butylpyrazolo[1,5-a]pyrazine;4,5-ditert-butylthieno[2,3-b]pyridine;6,7-ditert-butylthieno[3,2-b]pyridine;4,5-ditert-butylthieno[2,3-c]pyridine;5,6-ditert-butyltriazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2,3-ditert-butyl-1-benzofuran;4,5-ditert-butyl-2,1-benzothiazole;5,6-ditert-butyl-1,2-benzothiazole;5,6-ditert-butyl-1,3-benzothiazole;2,3-ditert-butyl-1-benzothiophene;4,5-ditert-butyl-1,2-benzoxazole;5,6-ditert-butyl-1,3-benzoxazole;5,6-ditert-butyl-2,1-benzoxazole;2,3-ditert-butylfuro[3,4-b]pyridine;5,6-ditert-butylfuro[2,3-b]pyridine;5,6-ditert-butylfuro[3,2-b]pyridine;4,5-ditert-butylfuro[2,3-c]pyridine;6,7-ditert-butylfuro[3,4-c]pyridine;6,7-ditert-butylpyrazolo[1,5-a]pyrazine;4,5-ditert-butylthieno[2,3-b]pyridine;6,7-ditert-butylthieno[3,2-b]pyridine;4,5-ditert-butylthieno[2,3-c]pyridine;5,6-ditert-butyltriazolo[1,5-a]pyridine
PubChem CID157057682
Molecular FormulaC270H380N20O9S7
Molecular Weight4274.61 g/mol
Exact Mass4270.79
IUPAC Name2,3-ditert-butyl-1-benzofuran;4,5-ditert-butyl-2,1-benzothiazole;5,6-ditert-butyl-1,2-benzothiazole;5,6-ditert-butyl-1,3-benzothiazole;2,3-ditert-butyl-1-benzothiophene;4,5-ditert-butyl-1,2-benzoxazole;5,6-ditert-butyl-1,3-benzoxazole;5,6-ditert-butyl-2,1-benzoxazole;2,3-ditert-butylfuro[3,4-b]pyridine;5,6-ditert-butylfuro[2,3-b]pyridine;5,6-ditert-butylfuro[3,2-b]pyridine;4,5-ditert-butylfuro[2,3-c]pyridine;6,7-ditert-butylfuro[3,4-c]pyridine;6,7-ditert-butylpyrazolo[1,5-a]pyrazine;4,5-ditert-butylthieno[2,3-b]pyridine;6,7-ditert-butylthieno[3,2-b]pyridine;4,5-ditert-butylthieno[2,3-c]pyridine;5,6-ditert-butyltriazolo[1,5-a]pyridine
SMILESCC(C)(C)c1cc2ccoc2nc1C(C)(C)C.CC(C)(C)c1cc2cnnn2cc1C(C)(C)C.CC(C)(C)c1cc2cnsc2cc1C(C)(C)C.CC(C)(C)c1cc2cocc2nc1C(C)(C)C.CC(C)(C)c1cc2conc2cc1C(C)(C)C.CC(C)(C)c1cc2ncoc2cc1C(C)(C)C.CC(C)(C)c1cc2ncsc2cc1C(C)(C)C.CC(C)(C)c1cc2occc2nc1C(C)(C)C.CC(C)(C)c1ccc2nscc2c1C(C)(C)C.CC(C)(C)c1ccc2oncc2c1C(C)(C)C.CC(C)(C)c1cnc2ccsc2c1C(C)(C)C.CC(C)(C)c1cnc2sccc2c1C(C)(C)C.CC(C)(C)c1ncc2ccnn2c1C(C)(C)C.CC(C)(C)c1ncc2cocc2c1C(C)(C)C.CC(C)(C)c1ncc2occc2c1C(C)(C)C.CC(C)(C)c1ncc2sccc2c1C(C)(C)C.CC(C)(C)c1oc2ccccc2c1C(C)(C)C.CC(C)(C)c1sc2ccccc2c1C(C)(C)C
InChIInChI=1S/C16H22O.C16H22S.8C15H21NO.6C15H21NS.2C14H21N3/c2*1-15(2,3)13-11-9-7-8-10-12(11)17-14(13)16(4,5)6;1-14(2,3)10-7-12-13(17-9-16-12)8-11(10)15(4,5)6;1-14(2,3)11-7-10-9-17-16-13(10)8-12(11)15(4,5)6;1-14(2,3)12-11-9-17-8-10(11)7-16-13(12)15(4,5)6;1-14(2,3)11-7-10-8-17-9-12(10)16-13(11)15(4,5)6;1-14(2,3)10-9-12-11(7-8-17-12)16-13(10)15(4,5)6;1-14(2,3)11-7-8-12-10(9-16-17-12)13(11)15(4,5)6;1-14(2,3)12-10-7-8-17-11(10)9-16-13(12)15(4,5)6;1-14(2,3)11-9-10-7-8-17-13(10)16-12(11)15(4,5)6;1-14(2,3)10-7-12-13(17-9-16-12)8-11(10)15(4,5)6;1-14(2,3)11-7-10-9-16-17-13(10)8-12(11)15(4,5)6;1-14(2,3)10-9-16-11-7-8-17-13(11)12(10)15(4,5)6;1-14(2,3)11-7-8-12-10(9-17-16-12)13(11)15(4,5)6;1-14(2,3)11-9-16-13-10(7-8-17-13)12(11)15(4,5)6;1-14(2,3)12-10-7-8-17-11(10)9-16-13(12)15(4,5)6;1-13(2,3)11-7-10-8-15-16-17(10)9-12(11)14(4,5)6;1-13(2,3)11-12(14(4,5)6)17-10(9-15-11)7-8-16-17/h2*7-10H,1-6H3;16*7-9H,1-6H3
InChIKeyAAYIPMGESWKGOO-UHFFFAOYSA-N
XLogP81.90
TPSA359.10 Ų
H-Bond Donors
H-Bond Acceptors36
Rotatable Bonds
Heavy Atoms306
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004274.61
LogP ≤ 581.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1036

Analyze 2,3-ditert-butyl-1-benzofuran;4,5-ditert-butyl-2,1-benzothiazole;5,6-ditert-butyl-1,2-benzothiazole;5,6-ditert-butyl-1,3-benzothiazole;2,3-ditert-butyl-1-benzothiophene;4,5-ditert-butyl-1,2-benzoxazole;5,6-ditert-butyl-1,3-benzoxazole;5,6-ditert-butyl-2,1-benzoxazole;2,3-ditert-butylfuro[3,4-b]pyridine;5,6-ditert-butylfuro[2,3-b]pyridine;5,6-ditert-butylfuro[3,2-b]pyridine;4,5-ditert-butylfuro[2,3-c]pyridine;6,7-ditert-butylfuro[3,4-c]pyridine;6,7-ditert-butylpyrazolo[1,5-a]pyrazine;4,5-ditert-butylthieno[2,3-b]pyridine;6,7-ditert-butylthieno[3,2-b]pyridine;4,5-ditert-butylthieno[2,3-c]pyridine;5,6-ditert-butyltriazolo[1,5-a]pyridine with MolForge

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Launch Full Analysis

Related Compounds

CID 161472059
CID 161472059
5-(1H-benzimidazol-2-yl)-7a-(1-benzofuran-2-yl)-1-(1,2,3-benzothiadiazol-4-yl)-3-(1,3-benzothiazol-2-yl)-7-(1-benzothiophen-2-yl)-4-(1H-benzotriazol-4-yl)-6-(1,2,3-benzoxadiazol-4-yl)-3a-(1,3-benzoxazol-2-yl)-5-[6-(furan-2-yl)-5-thiophen-2-yl-1,2,3-benzothiadiazol-4-yl]-4-[3-(1H-imidazol-2-yl)-5-(1H-indol-2-yl)-3a-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)-7-pyrazin-2-yl-5-(1H-pyrazol-3-yl)-6-pyridazin-3-yl-2-pyridin-2-yl-2-pyrimidin-2-yl-7a-(1H-pyrrol-2-yl)-2-(thiadiazol-4-yl)-6-(1,2-thiazol-3-yl)-7-(1,3-thiazol-2-yl)-1-(1H-1,2,4-triazol-3-yl)-2-(1H-triazol-4-yl)benzo[c][1,2,5]thiadiazol-4-yl]-6-(1H-indazol-3-yl)-7-thieno[3,2-b]pyridin-6-ylbenzo[c][1,2,5]oxadiazole
CID 141290183
2-[3-(1,3-Benzothiazol-2-yl)-2-(1,2-benzoxazol-3-yl)-4-cinnolin-3-yl-6-(1,2-oxazol-3-yl)-5-(1,3-oxazol-2-yl)-4-(1,2-thiazol-3-yl)cyclohexa-1,5-dien-1-yl]-1,3-benzoxazole
CID 141373171
6-Tert-butyl-2-propan-2-yl-1-benzofuran;6-tert-butyl-2-propan-2-yl-1,3-benzothiazole;6-tert-butyl-2-propan-2-ylfuro[3,2-b]pyridine;6-tert-butyl-2-propan-2-ylindazole;2,5-di(propan-2-yl)-1-benzofuran;2,5-di(propan-2-yl)-1,3-benzothiazole;2,5-di(propan-2-yl)-1,3-benzoxazole;2,5-di(propan-2-yl)furo[2,3-b]pyridine;2,5-di(propan-2-yl)furo[3,2-b]pyridine;2,5-di(propan-2-yl)furo[2,3-c]pyridine;2,6-di(propan-2-yl)imidazo[1,2-a]pyridine;2,5-di(propan-2-yl)indazole;2,5-di(propan-2-yl)-[1,3]thiazolo[4,5-b]pyridine;2,6-di(propan-2-yl)-[1,3]thiazolo[5,4-b]pyridine
CID 157072823
ethane;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-3H-1-benzofuran-2-one;5-propan-2-yl-3H-2-benzofuran-1-one;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,2-benzoxazole;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-3H-1,3-benzoxazol-2-one;3-propan-2-ylfuro[3,2-b]pyridine;7-propan-2-yl-[1,2]oxazolo[4,5-b]pyridine;2-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;5-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine
CID 157185499
Methane;2-methoxy-1,3-dimethylcyclopenta-1,3-diene;2-methoxy-3,5-dimethylthiophene;3-methoxy-2,4,5-trimethylthiophene;2,3,4,5,8-pentamethyl-1,6-naphthyridine;1,4,6,7-tetramethylbenzimidazole;3,5,6,7-tetramethylfuro[3,2-b]pyridine;3,5,6,7-tetramethylpyrazolo[1,5-a]pyrimidine;2,3,5,8-tetramethylpyrido[3,4-b]pyrazine;2,3,6,8-tetramethylpyrido[3,2-d]pyrimidin-4-one;3,5,6,7-tetramethylthieno[3,2-b]pyridine;4,5,7-trimethyl-2,1,3-benzothiadiazole;4,6,7-trimethyl-1,3-benzothiazole;4,6,7-trimethyl-1,3-benzoxazole;2,3,7-trimethylthieno[2,3-b]pyrazine
CID 157312010
1,1-dimethyl-4,7-di(propan-2-yl)-3H-2,1-benzoxasilole;2,2-dimethyl-4,7-di(propan-2-yl)-3H-1,2-benzoxasilole;4,7-di(propan-2-yl)-1,3-benzodioxole;4,7-di(propan-2-yl)-1-benzothiophene;4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[3,2-c]pyridine;bis(4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-d]pyridazine);4,7-di(propan-2-yl)furo[3,2-c]pyridine;4,7-di(propan-2-yl)-1H-indene;4,7-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyridazine;4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-d]pyridazine;methane;3-methyl-4,7-di(propan-2-yl)-1-benzothiophene
CID 157319661
benzene;3-tert-butyl-1,2-benzoxazole;4-tert-butyl-1,2-benzoxazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,2-benzoxazole;1-tert-butylimidazo[1,5-a]pyridine;5-tert-butyl-3H-pyrazolo[1,5-a]pyridin-8-ium;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;undecakis(2,2-dimethylpropane);1-(2,2-dimethylpropyl)indazole;furo[2,3-b]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;pyrazine;pyrazolo[1,5-a]pyridine;pyridazine;pyridine;1H-pyridin-2-one;pyrimidine;2H-pyrrole
CID 157369125
5-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,2-benzoxazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;2-tert-butyl-5H-cyclopenta[b]pyridine;5-tert-butylfuro[2,3-b]pyridine;5-tert-butylfuro[3,2-b]pyridine;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;6-tert-butylimidazo[1,2-a]pyrimidine;6-tert-butyl-1H-indazole;5-tert-butyl-1H-indene;5-tert-butyl-2H-indene;6-tert-butyl-1H-indole;bis(6-tert-butyl-3H-indole);6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;6-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 157425411
2,7-dimethylnaphthalene;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydroisoindol-1-one;2-methylfuro[2,3-c]pyridin-7-amine;2-methylfuro[3,2-c]pyridin-4-amine;2-methyl-1H-imidazo[4,5-c]pyridin-4-amine;5-methyl-1H-indazole;5-methyl-3H-indazole;2-methyl-3H-inden-4-amine;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine;6-methyl-1H-isoindole;2-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine;2-methylthieno[2,3-c]pyridin-7-amine;2-methylthieno[3,2-c]pyridin-4-amine
CID 157599626
2-(1-benzofuran-2-yl)-4,7-dimethyl-1,3-benzothiazole;2-(4,6-dimethyl-1-benzofuran-2-yl)-4,7-dimethyl-1,3-benzothiazole;bis(N,N-dimethylmethanamine);4,7-dimethyl-2-(4-methylsulfanylphenyl)-1,3-benzoxazole;4,7-dimethyl-2-pyridin-2-yl-1,3-benzoxazole;4,7-dimethyl-2-pyridin-3-yl-1,3-benzoxazole;ethane
CID 157609729
2-(1-benzofuran-3-carbonyl)-8-methylidene-2,7-diazaspiro[4.5]decan-6-one;2-(1,3-benzothiazole-6-carbonyl)-2,7-diazaspiro[4.5]decane-6,8-dione;2-(1,3-benzoxazole-6-carbonyl)-8-methylidene-2,7-diazaspiro[4.5]decan-6-one;2-(2,3-dihydro-1H-indene-5-carbonyl)-8-methylidene-2,7-diazaspiro[4.5]decan-6-one;8-methylidene-2-[2-(2-oxopropyl)-1,3-benzothiazole-5-carbonyl]-2,7-diazaspiro[4.5]decan-6-one;8-methylidene-2-(pyrazolo[1,5-a]pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 157643879

Frequently Asked Questions

What is the IUPAC name of 2,3-ditert-butyl-1-benzofuran;4,5-ditert-butyl-2,1-benzothiazole;5,6-ditert-butyl-1,2-benzothiazole;5,6-ditert-butyl-1,3-benzothiazole;2,3-ditert-butyl-1-benzothiophene;4,5-ditert-butyl-1,2-benzoxazole;5,6-ditert-butyl-1,3-benzoxazole;5,6-ditert-butyl-2,1-benzoxazole;2,3-ditert-butylfuro[3,4-b]pyridine;5,6-ditert-butylfuro[2,3-b]pyridine;5,6-ditert-butylfuro[3,2-b]pyridine;4,5-ditert-butylfuro[2,3-c]pyridine;6,7-ditert-butylfuro[3,4-c]pyridine;6,7-ditert-butylpyrazolo[1,5-a]pyrazine;4,5-ditert-butylthieno[2,3-b]pyridine;6,7-ditert-butylthieno[3,2-b]pyridine;4,5-ditert-butylthieno[2,3-c]pyridine;5,6-ditert-butyltriazolo[1,5-a]pyridine?
The IUPAC name of 2,3-ditert-butyl-1-benzofuran;4,5-ditert-butyl-2,1-benzothiazole;5,6-ditert-butyl-1,2-benzothiazole;5,6-ditert-butyl-1,3-benzothiazole;2,3-ditert-butyl-1-benzothiophene;4,5-ditert-butyl-1,2-benzoxazole;5,6-ditert-butyl-1,3-benzoxazole;5,6-ditert-butyl-2,1-benzoxazole;2,3-ditert-butylfuro[3,4-b]pyridine;5,6-ditert-butylfuro[2,3-b]pyridine;5,6-ditert-butylfuro[3,2-b]pyridine;4,5-ditert-butylfuro[2,3-c]pyridine;6,7-ditert-butylfuro[3,4-c]pyridine;6,7-ditert-butylpyrazolo[1,5-a]pyrazine;4,5-ditert-butylthieno[2,3-b]pyridine;6,7-ditert-butylthieno[3,2-b]pyridine;4,5-ditert-butylthieno[2,3-c]pyridine;5,6-ditert-butyltriazolo[1,5-a]pyridine (CID 157057682) is 2,3-ditert-butyl-1-benzofuran;4,5-ditert-butyl-2,1-benzothiazole;5,6-ditert-butyl-1,2-benzothiazole;5,6-ditert-butyl-1,3-benzothiazole;2,3-ditert-butyl-1-benzothiophene;4,5-ditert-butyl-1,2-benzoxazole;5,6-ditert-butyl-1,3-benzoxazole;5,6-ditert-butyl-2,1-benzoxazole;2,3-ditert-butylfuro[3,4-b]pyridine;5,6-ditert-butylfuro[2,3-b]pyridine;5,6-ditert-butylfuro[3,2-b]pyridine;4,5-ditert-butylfuro[2,3-c]pyridine;6,7-ditert-butylfuro[3,4-c]pyridine;6,7-ditert-butylpyrazolo[1,5-a]pyrazine;4,5-ditert-butylthieno[2,3-b]pyridine;6,7-ditert-butylthieno[3,2-b]pyridine;4,5-ditert-butylthieno[2,3-c]pyridine;5,6-ditert-butyltriazolo[1,5-a]pyridine.
What is the SMILES notation for 2,3-ditert-butyl-1-benzofuran;4,5-ditert-butyl-2,1-benzothiazole;5,6-ditert-butyl-1,2-benzothiazole;5,6-ditert-butyl-1,3-benzothiazole;2,3-ditert-butyl-1-benzothiophene;4,5-ditert-butyl-1,2-benzoxazole;5,6-ditert-butyl-1,3-benzoxazole;5,6-ditert-butyl-2,1-benzoxazole;2,3-ditert-butylfuro[3,4-b]pyridine;5,6-ditert-butylfuro[2,3-b]pyridine;5,6-ditert-butylfuro[3,2-b]pyridine;4,5-ditert-butylfuro[2,3-c]pyridine;6,7-ditert-butylfuro[3,4-c]pyridine;6,7-ditert-butylpyrazolo[1,5-a]pyrazine;4,5-ditert-butylthieno[2,3-b]pyridine;6,7-ditert-butylthieno[3,2-b]pyridine;4,5-ditert-butylthieno[2,3-c]pyridine;5,6-ditert-butyltriazolo[1,5-a]pyridine?
The canonical SMILES for 2,3-ditert-butyl-1-benzofuran;4,5-ditert-butyl-2,1-benzothiazole;5,6-ditert-butyl-1,2-benzothiazole;5,6-ditert-butyl-1,3-benzothiazole;2,3-ditert-butyl-1-benzothiophene;4,5-ditert-butyl-1,2-benzoxazole;5,6-ditert-butyl-1,3-benzoxazole;5,6-ditert-butyl-2,1-benzoxazole;2,3-ditert-butylfuro[3,4-b]pyridine;5,6-ditert-butylfuro[2,3-b]pyridine;5,6-ditert-butylfuro[3,2-b]pyridine;4,5-ditert-butylfuro[2,3-c]pyridine;6,7-ditert-butylfuro[3,4-c]pyridine;6,7-ditert-butylpyrazolo[1,5-a]pyrazine;4,5-ditert-butylthieno[2,3-b]pyridine;6,7-ditert-butylthieno[3,2-b]pyridine;4,5-ditert-butylthieno[2,3-c]pyridine;5,6-ditert-butyltriazolo[1,5-a]pyridine is CC(C)(C)c1cc2ccoc2nc1C(C)(C)C.CC(C)(C)c1cc2cnnn2cc1C(C)(C)C.CC(C)(C)c1cc2cnsc2cc1C(C)(C)C.CC(C)(C)c1cc2cocc2nc1C(C)(C)C.CC(C)(C)c1cc2conc2cc1C(C)(C)C.CC(C)(C)c1cc2ncoc2cc1C(C)(C)C.CC(C)(C)c1cc2ncsc2cc1C(C)(C)C.CC(C)(C)c1cc2occc2nc1C(C)(C)C.CC(C)(C)c1ccc2nscc2c1C(C)(C)C.CC(C)(C)c1ccc2oncc2c1C(C)(C)C.CC(C)(C)c1cnc2ccsc2c1C(C)(C)C.CC(C)(C)c1cnc2sccc2c1C(C)(C)C.CC(C)(C)c1ncc2ccnn2c1C(C)(C)C.CC(C)(C)c1ncc2cocc2c1C(C)(C)C.CC(C)(C)c1ncc2occc2c1C(C)(C)C.CC(C)(C)c1ncc2sccc2c1C(C)(C)C.CC(C)(C)c1oc2ccccc2c1C(C)(C)C.CC(C)(C)c1sc2ccccc2c1C(C)(C)C.
What is the InChIKey of 2,3-ditert-butyl-1-benzofuran;4,5-ditert-butyl-2,1-benzothiazole;5,6-ditert-butyl-1,2-benzothiazole;5,6-ditert-butyl-1,3-benzothiazole;2,3-ditert-butyl-1-benzothiophene;4,5-ditert-butyl-1,2-benzoxazole;5,6-ditert-butyl-1,3-benzoxazole;5,6-ditert-butyl-2,1-benzoxazole;2,3-ditert-butylfuro[3,4-b]pyridine;5,6-ditert-butylfuro[2,3-b]pyridine;5,6-ditert-butylfuro[3,2-b]pyridine;4,5-ditert-butylfuro[2,3-c]pyridine;6,7-ditert-butylfuro[3,4-c]pyridine;6,7-ditert-butylpyrazolo[1,5-a]pyrazine;4,5-ditert-butylthieno[2,3-b]pyridine;6,7-ditert-butylthieno[3,2-b]pyridine;4,5-ditert-butylthieno[2,3-c]pyridine;5,6-ditert-butyltriazolo[1,5-a]pyridine?
The InChIKey is AAYIPMGESWKGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O.C16H22S.8C15H21NO.6C15H21NS.2C14H21N3/c2*1-15(2,3)13-11-9-7-8-10-12(11)17-14(13)16(4,5)6;1-14(2,3)10-7-12-13(17-9-16-12)8-11(10)15(4,5)6;1-14(2,3)11-7-10-9-17-16-13(10)8-12(11)15(4,5)6;1-14(2,3)12-11-9-17-8-10(11)7-16-13(12)15(4,5)6;1-14(2,3)11-7-10-8-17-9-12(10)16-13(11)15(4,5)6;1-14(2,3)10-9-12-11(7-8-17-12)16-13(10)15(4,5)6;1-14(2,3)11-7-8-12-10(9-16-17-12)13(11)15(4,5)6;1-14(2,3)12-10-7-8-17-11(10)9-16-13(12)15(4,5)6;1-14(2,3)11-9-10-7-8-17-13(10)16-12(11)15(4,5)6;1-14(2,3)10-7-12-13(17-9-16-12)8-11(10)15(4,5)6;1-14(2,3)11-7-10-9-16-17-13(10)8-12(11)15(4,5)6;1-14(2,3)10-9-16-11-7-8-17-13(11)12(10)15(4,5)6;1-14(2,3)11-7-8-12-10(9-17-16-12)13(11)15(4,5)6;1-14(2,3)11-9-16-13-10(7-8-17-13)12(11)15(4,5)6;1-14(2,3)12-10-7-8-17-11(10)9-16-13(12)15(4,5)6;1-13(2,3)11-7-10-8-15-16-17(10)9-12(11)14(4,5)6;1-13(2,3)11-12(14(4,5)6)17-10(9-15-11)7-8-16-17/h2*7-10H,1-6H3;16*7-9H,1-6H3.
What are the key properties of 2,3-ditert-butyl-1-benzofuran;4,5-ditert-butyl-2,1-benzothiazole;5,6-ditert-butyl-1,2-benzothiazole;5,6-ditert-butyl-1,3-benzothiazole;2,3-ditert-butyl-1-benzothiophene;4,5-ditert-butyl-1,2-benzoxazole;5,6-ditert-butyl-1,3-benzoxazole;5,6-ditert-butyl-2,1-benzoxazole;2,3-ditert-butylfuro[3,4-b]pyridine;5,6-ditert-butylfuro[2,3-b]pyridine;5,6-ditert-butylfuro[3,2-b]pyridine;4,5-ditert-butylfuro[2,3-c]pyridine;6,7-ditert-butylfuro[3,4-c]pyridine;6,7-ditert-butylpyrazolo[1,5-a]pyrazine;4,5-ditert-butylthieno[2,3-b]pyridine;6,7-ditert-butylthieno[3,2-b]pyridine;4,5-ditert-butylthieno[2,3-c]pyridine;5,6-ditert-butyltriazolo[1,5-a]pyridine?
2,3-ditert-butyl-1-benzofuran;4,5-ditert-butyl-2,1-benzothiazole;5,6-ditert-butyl-1,2-benzothiazole;5,6-ditert-butyl-1,3-benzothiazole;2,3-ditert-butyl-1-benzothiophene;4,5-ditert-butyl-1,2-benzoxazole;5,6-ditert-butyl-1,3-benzoxazole;5,6-ditert-butyl-2,1-benzoxazole;2,3-ditert-butylfuro[3,4-b]pyridine;5,6-ditert-butylfuro[2,3-b]pyridine;5,6-ditert-butylfuro[3,2-b]pyridine;4,5-ditert-butylfuro[2,3-c]pyridine;6,7-ditert-butylfuro[3,4-c]pyridine;6,7-ditert-butylpyrazolo[1,5-a]pyrazine;4,5-ditert-butylthieno[2,3-b]pyridine;6,7-ditert-butylthieno[3,2-b]pyridine;4,5-ditert-butylthieno[2,3-c]pyridine;5,6-ditert-butyltriazolo[1,5-a]pyridine has a molecular weight of 4274.61 g/mol, XLogP of 81.90, 0 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-ditert-butyl-1-benzofuran;4,5-ditert-butyl-2,1-benzothiazole;5,6-ditert-butyl-1,2-benzothiazole;5,6-ditert-butyl-1,3-benzothiazole;2,3-ditert-butyl-1-benzothiophene;4,5-ditert-butyl-1,2-benzoxazole;5,6-ditert-butyl-1,3-benzoxazole;5,6-ditert-butyl-2,1-benzoxazole;2,3-ditert-butylfuro[3,4-b]pyridine;5,6-ditert-butylfuro[2,3-b]pyridine;5,6-ditert-butylfuro[3,2-b]pyridine;4,5-ditert-butylfuro[2,3-c]pyridine;6,7-ditert-butylfuro[3,4-c]pyridine;6,7-ditert-butylpyrazolo[1,5-a]pyrazine;4,5-ditert-butylthieno[2,3-b]pyridine;6,7-ditert-butylthieno[3,2-b]pyridine;4,5-ditert-butylthieno[2,3-c]pyridine;5,6-ditert-butyltriazolo[1,5-a]pyridine is sourced from PubChem (CID 157057682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).