2,3-ditert-butyl-1-benzofuran;4,5-ditert-butyl-1,2-benzoxazole;5,6-ditert-butyl-1,3-benzoxazole;5,6-ditert-butylfuro[2,3-b]pyridine;5,6-ditert-butylfuro[3,2-b]pyridine;4,5-ditert-butylfuro[2,3-c]pyridine;7,8-ditert-butylimidazo[1,5-c]pyrimidine;1,2-ditert-butylindolizine;6,7-ditert-butylpyrazolo[1,5-a]pyrazine;2,3-ditert-butylpyrazolo[1,5-a]pyridine;5,6-ditert-butylpyrrolo[1,2-b]pyridazine;5,6-ditert-butyltriazolo[1,5-a]pyridine;6,7-ditert-butyl-[1,2,4]triazolo[1,5-a]pyridine;6,7-ditert-butyl-[1,2,4]triazolo[4,3-a]pyridine;methane

C208H303N25O6 — CID 158431370

IUPAC2,3-ditert-butyl-1-benzofuran;4,5-ditert-butyl-1,2-benzoxazole;5,6-ditert-butyl-1,3-benzoxazole;5,6-ditert-butylfuro[2,3-b]pyridine;5,6-ditert-butylfuro[3,2-b]pyridine;4,5-ditert-butylfuro[2,3-c]pyridine;7,8-ditert-butylimidazo[1,5-c]pyrimidine;1,2-ditert-butylindolizine;6,7-ditert-butylpyrazolo[1,5-a]pyrazine;2,3-ditert-butylpyrazolo[1,5-a]pyridine;5,6-ditert-butylpyrrolo[1,2-b]pyridazine;5,6-ditert-butyltriazolo[1,5-a]pyridine;6,7-ditert-butyl-[1,2,4]triazolo[1,5-a]pyridine;6,7-ditert-butyl-[1,2,4]triazolo[4,3-a]pyridine;methane
SMILESC.CC(C)(C)c1cc2ccoc2nc1C(C)(C)C.CC(C)(C)c1cc2cnnn2cc1C(C)(C)C.CC(C)(C)c1cc2ncnn2cc1C(C)(C)C.CC(C)(C)c1cc2ncoc2cc1C(C)(C)C.CC(C)(C)c1cc2nncn2cc1C(C)(C)C.CC(C)(C)c1cc2occc2nc1C(C)(C)C.CC(C)(C)c1ccc2oncc2c1C(C)(C)C.CC(C)(C)c1cn2ccccc2c1C(C)(C)C.CC(C)(C)c1cn2ncccc2c1C(C)(C)C.CC(C)(C)c1ncc2ccnn2c1C(C)(C)C.CC(C)(C)c1ncc2occc2c1C(C)(C)C.CC(C)(C)c1ncn2cncc2c1C(C)(C)C.CC(C)(C)c1nn2ccccc2c1C(C)(C)C.CC(C)(C)c1oc2ccccc2c1C(C)(C)C
InChIInChI=1S/C16H23N.C16H22O.2C15H22N2.5C15H21NO.5C14H21N3.CH4/c1-15(2,3)12-11-17-10-8-7-9-13(17)14(12)16(4,5)6;1-15(2,3)13-11-9-7-8-10-12(11)17-14(13)16(4,5)6;1-14(2,3)11-10-17-12(8-7-9-16-17)13(11)15(4,5)6;1-14(2,3)12-11-9-7-8-10-17(11)16-13(12)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)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;1-13(2,3)11-10-7-15-8-17(10)9-16-12(11)14(4,5)6;1-13(2,3)10-7-12-16-15-9-17(12)8-11(10)14(4,5)6;1-13(2,3)10-7-12-15-9-16-17(12)8-11(10)14(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;/h7-11H,1-6H3;3*7-10H,1-6H3;10*7-9H,1-6H3;1H4
InChIKeyHBRTUROUUSJRFQ-UHFFFAOYSA-N
MW3249.88 g/mol
LogP56.79
Rot. Bonds

About 2,3-ditert-butyl-1-benzofuran;4,5-ditert-butyl-1,2-benzoxazole;5,6-ditert-butyl-1,3-benzoxazole;5,6-ditert-butylfuro[2,3-b]pyridine;5,6-ditert-butylfuro[3,2-b]pyridine;4,5-ditert-butylfuro[2,3-c]pyridine;7,8-ditert-butylimidazo[1,5-c]pyrimidine;1,2-ditert-butylindolizine;6,7-ditert-butylpyrazolo[1,5-a]pyrazine;2,3-ditert-butylpyrazolo[1,5-a]pyridine;5,6-ditert-butylpyrrolo[1,2-b]pyridazine;5,6-ditert-butyltriazolo[1,5-a]pyridine;6,7-ditert-butyl-[1,2,4]triazolo[1,5-a]pyridine;6,7-ditert-butyl-[1,2,4]triazolo[4,3-a]pyridine;methane

2,3-ditert-butyl-1-benzofuran;4,5-ditert-butyl-1,2-benzoxazole;5,6-ditert-butyl-1,3-benzoxazole;5,6-ditert-butylfuro[2,3-b]pyridine;5,6-ditert-butylfuro[3,2-b]pyridine;4,5-ditert-butylfuro[2,3-c]pyridine;7,8-ditert-butylimidazo[1,5-c]pyrimidine;1,2-ditert-butylindolizine;6,7-ditert-butylpyrazolo[1,5-a]pyrazine;2,3-ditert-butylpyrazolo[1,5-a]pyridine;5,6-ditert-butylpyrrolo[1,2-b]pyridazine;5,6-ditert-butyltriazolo[1,5-a]pyridine;6,7-ditert-butyl-[1,2,4]triazolo[1,5-a]pyridine;6,7-ditert-butyl-[1,2,4]triazolo[4,3-a]pyridine;methane (PubChem CID 158431370) has the molecular formula C208H303N25O6 and a molecular weight of 3249.88 g/mol. Its IUPAC name is 2,3-ditert-butyl-1-benzofuran;4,5-ditert-butyl-1,2-benzoxazole;5,6-ditert-butyl-1,3-benzoxazole;5,6-ditert-butylfuro[2,3-b]pyridine;5,6-ditert-butylfuro[3,2-b]pyridine;4,5-ditert-butylfuro[2,3-c]pyridine;7,8-ditert-butylimidazo[1,5-c]pyrimidine;1,2-ditert-butylindolizine;6,7-ditert-butylpyrazolo[1,5-a]pyrazine;2,3-ditert-butylpyrazolo[1,5-a]pyridine;5,6-ditert-butylpyrrolo[1,2-b]pyridazine;5,6-ditert-butyltriazolo[1,5-a]pyridine;6,7-ditert-butyl-[1,2,4]triazolo[1,5-a]pyridine;6,7-ditert-butyl-[1,2,4]triazolo[4,3-a]pyridine;methane.

Molecular Properties

Compound Name2,3-ditert-butyl-1-benzofuran;4,5-ditert-butyl-1,2-benzoxazole;5,6-ditert-butyl-1,3-benzoxazole;5,6-ditert-butylfuro[2,3-b]pyridine;5,6-ditert-butylfuro[3,2-b]pyridine;4,5-ditert-butylfuro[2,3-c]pyridine;7,8-ditert-butylimidazo[1,5-c]pyrimidine;1,2-ditert-butylindolizine;6,7-ditert-butylpyrazolo[1,5-a]pyrazine;2,3-ditert-butylpyrazolo[1,5-a]pyridine;5,6-ditert-butylpyrrolo[1,2-b]pyridazine;5,6-ditert-butyltriazolo[1,5-a]pyridine;6,7-ditert-butyl-[1,2,4]triazolo[1,5-a]pyridine;6,7-ditert-butyl-[1,2,4]triazolo[4,3-a]pyridine;methane
PubChem CID158431370
Molecular FormulaC208H303N25O6
Molecular Weight3249.88 g/mol
Exact Mass3247.42
IUPAC Name2,3-ditert-butyl-1-benzofuran;4,5-ditert-butyl-1,2-benzoxazole;5,6-ditert-butyl-1,3-benzoxazole;5,6-ditert-butylfuro[2,3-b]pyridine;5,6-ditert-butylfuro[3,2-b]pyridine;4,5-ditert-butylfuro[2,3-c]pyridine;7,8-ditert-butylimidazo[1,5-c]pyrimidine;1,2-ditert-butylindolizine;6,7-ditert-butylpyrazolo[1,5-a]pyrazine;2,3-ditert-butylpyrazolo[1,5-a]pyridine;5,6-ditert-butylpyrrolo[1,2-b]pyridazine;5,6-ditert-butyltriazolo[1,5-a]pyridine;6,7-ditert-butyl-[1,2,4]triazolo[1,5-a]pyridine;6,7-ditert-butyl-[1,2,4]triazolo[4,3-a]pyridine;methane
SMILESC.CC(C)(C)c1cc2ccoc2nc1C(C)(C)C.CC(C)(C)c1cc2cnnn2cc1C(C)(C)C.CC(C)(C)c1cc2ncnn2cc1C(C)(C)C.CC(C)(C)c1cc2ncoc2cc1C(C)(C)C.CC(C)(C)c1cc2nncn2cc1C(C)(C)C.CC(C)(C)c1cc2occc2nc1C(C)(C)C.CC(C)(C)c1ccc2oncc2c1C(C)(C)C.CC(C)(C)c1cn2ccccc2c1C(C)(C)C.CC(C)(C)c1cn2ncccc2c1C(C)(C)C.CC(C)(C)c1ncc2ccnn2c1C(C)(C)C.CC(C)(C)c1ncc2occc2c1C(C)(C)C.CC(C)(C)c1ncn2cncc2c1C(C)(C)C.CC(C)(C)c1nn2ccccc2c1C(C)(C)C.CC(C)(C)c1oc2ccccc2c1C(C)(C)C
InChIInChI=1S/C16H23N.C16H22O.2C15H22N2.5C15H21NO.5C14H21N3.CH4/c1-15(2,3)12-11-17-10-8-7-9-13(17)14(12)16(4,5)6;1-15(2,3)13-11-9-7-8-10-12(11)17-14(13)16(4,5)6;1-14(2,3)11-10-17-12(8-7-9-16-17)13(11)15(4,5)6;1-14(2,3)12-11-9-7-8-10-17(11)16-13(12)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)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;1-13(2,3)11-10-7-15-8-17(10)9-16-12(11)14(4,5)6;1-13(2,3)10-7-12-16-15-9-17(12)8-11(10)14(4,5)6;1-13(2,3)10-7-12-15-9-16-17(12)8-11(10)14(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;/h7-11H,1-6H3;3*7-10H,1-6H3;10*7-9H,1-6H3;1H4
InChIKeyHBRTUROUUSJRFQ-UHFFFAOYSA-N
XLogP56.79
TPSA333.25 Ų
H-Bond Donors
H-Bond Acceptors31
Rotatable Bonds
Heavy Atoms239
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003249.88
LogP ≤ 556.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1031

Analyze 2,3-ditert-butyl-1-benzofuran;4,5-ditert-butyl-1,2-benzoxazole;5,6-ditert-butyl-1,3-benzoxazole;5,6-ditert-butylfuro[2,3-b]pyridine;5,6-ditert-butylfuro[3,2-b]pyridine;4,5-ditert-butylfuro[2,3-c]pyridine;7,8-ditert-butylimidazo[1,5-c]pyrimidine;1,2-ditert-butylindolizine;6,7-ditert-butylpyrazolo[1,5-a]pyrazine;2,3-ditert-butylpyrazolo[1,5-a]pyridine;5,6-ditert-butylpyrrolo[1,2-b]pyridazine;5,6-ditert-butyltriazolo[1,5-a]pyridine;6,7-ditert-butyl-[1,2,4]triazolo[1,5-a]pyridine;6,7-ditert-butyl-[1,2,4]triazolo[4,3-a]pyridine;methane with MolForge

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Launch Full Analysis

Related Compounds

1-[7-[5-[[2-[2-[3-ethoxy-4-[4-[2-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-oxoacetyl]piperazin-1-yl]phenyl]-4-pyridinyl]ethylamino]methyl]-1H-pyrazol-3-yl]-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethane-1,2-dione
CID 143573582
[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3S)-3-fluoropyrrolidin-1-yl]methanone;(3,3-difluoroazetidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;[(3R)-3-fluoropyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3R)-3-pyrazol-1-ylpyrrolidin-1-yl]methanone;N-methyl-6-(2-methyl-1,3-benzoxazol-5-yl)-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 157093503
CID 158130938
CID 158130938
4-tert-butyl-2H-benzotriazole;3-tert-butyl-1,2-benzoxazole;3-tert-butyl-4-fluoro-2H-indazole;3-tert-butyl-5-fluoro-2H-indazole;3-tert-butyl-6-fluoro-2H-indazole;4-tert-butyl-5-fluoro-1-methylpyrrolo[2,3-b]pyridine;4-tert-butyl-3-fluoro-1H-pyrrolo[2,3-b]pyridine;4-tert-butyl-5-fluoro-1H-pyrrolo[2,3-b]pyridine;3-tert-butyl-2H-indazole;4-tert-butyl-1-methylbenzimidazole;3-tert-butyl-2-methylindazole;4-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;5-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;6-tert-butyl-1H-pyrrolo[2,3-b]pyridine;4-tert-butyl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine;2-methyl-6-propan-2-yl-1,3-benzoxazole
CID 158251202
3-[7-[2-(6,7-dimethylcinnolin-3-yl)ethynyl]-4-methylfuro[2,3-c]pyridin-3-yl]oxy-N,N-dimethylaniline;7-[2-(2,5-dimethylquinazolin-7-yl)ethynyl]-6-methoxy-3-[3-methyl-5-(piperidin-1-ylmethyl)phenoxy]-[1,2]oxazolo[4,5-c]pyridine;7-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-6-methyl-3-[[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]methyl]-1,2-benzoxazole
CID 158380271
3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)sulfanyl]-6-methyl-7-(2-pyrazolo[1,5-c]pyrimidin-3-ylethynyl)-1,2-benzoxazole;N,N-dimethyl-4-[3-[7-(2-pyrazolo[1,5-a]pyrimidin-3-ylethynyl)-[1,2]oxazolo[5,4-c]pyridin-3-yl]propyl]aniline;6-propoxy-7-(2-pyrazolo[1,5-a]pyridin-3-ylethynyl)-3-[3-[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenoxy]propyl]-[1,2]oxazolo[4,5-b]pyridine
CID 159035789
2,4-Dimethyl-1,3-oxazole;bis(3,5-dimethyl-1,2-oxazole);3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;1-isocyano-4-methylbenzene;2-isocyano-5-methylpyridine;1-methoxy-4-methylbenzene;2-methoxy-5-methylpyridine;3-methyl-5-phenyl-1,2-oxazole;4-methyl-2-phenyl-1,3-oxazole;2-methylpyrazine;3-methylpyridine;4-methylpyridine;5-methylpyrimidine;1-methyl-4-(trifluoromethyl)benzene;3-methyl-5-(trifluoromethyl)-1,2-oxazole;4-methyl-2-(trifluoromethyl)-1,3-oxazole;bis(5-methyl-3-(trifluoromethyl)-1,2-oxazole);3-methyl-6-(trifluoromethyl)pyridazine;5-methyl-2-(trifluoromethyl)pyridine;5-methyl-2-(trifluoromethyl)pyrimidine;toluene
CID 159376626
3-tert-butylaniline;4-tert-butylbenzamide;5-tert-butyl-2-cyclopropylpyrimidine;3-tert-butyl-1-(difluoromethyl)pyrazole;5-tert-butyl-1-ethylpyrazole;1-tert-butyl-4-methoxybenzene;2-tert-butyl-6-methoxypyridine;3-tert-butyl-5-methoxypyridine;4-tert-butyl-2-methoxypyrimidine;5-tert-butyl-2-methoxypyrimidine;1-tert-butyl-2-methylbenzene;5-tert-butyl-1-methylimidazole;3-tert-butyl-3-methyloxetane;4-tert-butyl-1-methylpyrazole;3-tert-butyl-4-methyl-1,2,4-triazole;N-(3-tert-butylphenyl)acetamide;3-tert-butyl-5-propan-2-yl-1,2,4-oxadiazole;4-tert-butyl-2-propan-2-yl-1,3-oxazole;4-tert-butyl-2-propan-2-yloxypyridine;2-tert-butyl-7-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 159470779
5-[4-(difluoromethoxy)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-benzoxazol-2-one;3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylidene-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridine;3-[(2-methylfuran-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(1-methylpyrazol-4-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(2R)-2-pyrimidin-2-ylpropyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(2S)-2-pyrimidin-2-ylpropyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 159736067
N-[4-methyl-3-(1-methyl-7-morpholin-4-ylpyrazolo[4,5-d]pyrimidin-5-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-morpholin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-morpholin-4-ylfuro[3,2-d]pyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-morpholin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-morpholin-4-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[8-[2-(3H-pyrrol-2-yl)morpholin-4-yl]imidazo[1,2-b]pyridazin-6-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 159908285
7-Tert-butyl-2-(4-methoxyphenyl)-3a,7a-dihydro-1,3-benzoxazole;5-tert-butyl-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine;1-(3-tert-butylphenyl)-2-(1-methylpyrazol-4-yl)ethanone;4-[2-(3-tert-butylphenyl)-2-oxoethyl]benzonitrile;1-(3-tert-butylphenyl)-2-quinolin-6-ylethanone;7-tert-butyl-2-pyridin-3-yl-1,3-benzoxazole;8-tert-butyl-2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine
CID 160626214
(3,3-difluoroazetidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;bis([(3R)-3-fluoropyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone);[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3R)-3-pyrazol-1-ylpyrrolidin-1-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3S)-3-pyrazol-1-ylpyrrolidin-1-yl]methanone
CID 160703973

Frequently Asked Questions

What is the IUPAC name of 2,3-ditert-butyl-1-benzofuran;4,5-ditert-butyl-1,2-benzoxazole;5,6-ditert-butyl-1,3-benzoxazole;5,6-ditert-butylfuro[2,3-b]pyridine;5,6-ditert-butylfuro[3,2-b]pyridine;4,5-ditert-butylfuro[2,3-c]pyridine;7,8-ditert-butylimidazo[1,5-c]pyrimidine;1,2-ditert-butylindolizine;6,7-ditert-butylpyrazolo[1,5-a]pyrazine;2,3-ditert-butylpyrazolo[1,5-a]pyridine;5,6-ditert-butylpyrrolo[1,2-b]pyridazine;5,6-ditert-butyltriazolo[1,5-a]pyridine;6,7-ditert-butyl-[1,2,4]triazolo[1,5-a]pyridine;6,7-ditert-butyl-[1,2,4]triazolo[4,3-a]pyridine;methane?
The IUPAC name of 2,3-ditert-butyl-1-benzofuran;4,5-ditert-butyl-1,2-benzoxazole;5,6-ditert-butyl-1,3-benzoxazole;5,6-ditert-butylfuro[2,3-b]pyridine;5,6-ditert-butylfuro[3,2-b]pyridine;4,5-ditert-butylfuro[2,3-c]pyridine;7,8-ditert-butylimidazo[1,5-c]pyrimidine;1,2-ditert-butylindolizine;6,7-ditert-butylpyrazolo[1,5-a]pyrazine;2,3-ditert-butylpyrazolo[1,5-a]pyridine;5,6-ditert-butylpyrrolo[1,2-b]pyridazine;5,6-ditert-butyltriazolo[1,5-a]pyridine;6,7-ditert-butyl-[1,2,4]triazolo[1,5-a]pyridine;6,7-ditert-butyl-[1,2,4]triazolo[4,3-a]pyridine;methane (CID 158431370) is 2,3-ditert-butyl-1-benzofuran;4,5-ditert-butyl-1,2-benzoxazole;5,6-ditert-butyl-1,3-benzoxazole;5,6-ditert-butylfuro[2,3-b]pyridine;5,6-ditert-butylfuro[3,2-b]pyridine;4,5-ditert-butylfuro[2,3-c]pyridine;7,8-ditert-butylimidazo[1,5-c]pyrimidine;1,2-ditert-butylindolizine;6,7-ditert-butylpyrazolo[1,5-a]pyrazine;2,3-ditert-butylpyrazolo[1,5-a]pyridine;5,6-ditert-butylpyrrolo[1,2-b]pyridazine;5,6-ditert-butyltriazolo[1,5-a]pyridine;6,7-ditert-butyl-[1,2,4]triazolo[1,5-a]pyridine;6,7-ditert-butyl-[1,2,4]triazolo[4,3-a]pyridine;methane.
What is the SMILES notation for 2,3-ditert-butyl-1-benzofuran;4,5-ditert-butyl-1,2-benzoxazole;5,6-ditert-butyl-1,3-benzoxazole;5,6-ditert-butylfuro[2,3-b]pyridine;5,6-ditert-butylfuro[3,2-b]pyridine;4,5-ditert-butylfuro[2,3-c]pyridine;7,8-ditert-butylimidazo[1,5-c]pyrimidine;1,2-ditert-butylindolizine;6,7-ditert-butylpyrazolo[1,5-a]pyrazine;2,3-ditert-butylpyrazolo[1,5-a]pyridine;5,6-ditert-butylpyrrolo[1,2-b]pyridazine;5,6-ditert-butyltriazolo[1,5-a]pyridine;6,7-ditert-butyl-[1,2,4]triazolo[1,5-a]pyridine;6,7-ditert-butyl-[1,2,4]triazolo[4,3-a]pyridine;methane?
The canonical SMILES for 2,3-ditert-butyl-1-benzofuran;4,5-ditert-butyl-1,2-benzoxazole;5,6-ditert-butyl-1,3-benzoxazole;5,6-ditert-butylfuro[2,3-b]pyridine;5,6-ditert-butylfuro[3,2-b]pyridine;4,5-ditert-butylfuro[2,3-c]pyridine;7,8-ditert-butylimidazo[1,5-c]pyrimidine;1,2-ditert-butylindolizine;6,7-ditert-butylpyrazolo[1,5-a]pyrazine;2,3-ditert-butylpyrazolo[1,5-a]pyridine;5,6-ditert-butylpyrrolo[1,2-b]pyridazine;5,6-ditert-butyltriazolo[1,5-a]pyridine;6,7-ditert-butyl-[1,2,4]triazolo[1,5-a]pyridine;6,7-ditert-butyl-[1,2,4]triazolo[4,3-a]pyridine;methane is C.CC(C)(C)c1cc2ccoc2nc1C(C)(C)C.CC(C)(C)c1cc2cnnn2cc1C(C)(C)C.CC(C)(C)c1cc2ncnn2cc1C(C)(C)C.CC(C)(C)c1cc2ncoc2cc1C(C)(C)C.CC(C)(C)c1cc2nncn2cc1C(C)(C)C.CC(C)(C)c1cc2occc2nc1C(C)(C)C.CC(C)(C)c1ccc2oncc2c1C(C)(C)C.CC(C)(C)c1cn2ccccc2c1C(C)(C)C.CC(C)(C)c1cn2ncccc2c1C(C)(C)C.CC(C)(C)c1ncc2ccnn2c1C(C)(C)C.CC(C)(C)c1ncc2occc2c1C(C)(C)C.CC(C)(C)c1ncn2cncc2c1C(C)(C)C.CC(C)(C)c1nn2ccccc2c1C(C)(C)C.CC(C)(C)c1oc2ccccc2c1C(C)(C)C.
What is the InChIKey of 2,3-ditert-butyl-1-benzofuran;4,5-ditert-butyl-1,2-benzoxazole;5,6-ditert-butyl-1,3-benzoxazole;5,6-ditert-butylfuro[2,3-b]pyridine;5,6-ditert-butylfuro[3,2-b]pyridine;4,5-ditert-butylfuro[2,3-c]pyridine;7,8-ditert-butylimidazo[1,5-c]pyrimidine;1,2-ditert-butylindolizine;6,7-ditert-butylpyrazolo[1,5-a]pyrazine;2,3-ditert-butylpyrazolo[1,5-a]pyridine;5,6-ditert-butylpyrrolo[1,2-b]pyridazine;5,6-ditert-butyltriazolo[1,5-a]pyridine;6,7-ditert-butyl-[1,2,4]triazolo[1,5-a]pyridine;6,7-ditert-butyl-[1,2,4]triazolo[4,3-a]pyridine;methane?
The InChIKey is HBRTUROUUSJRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N.C16H22O.2C15H22N2.5C15H21NO.5C14H21N3.CH4/c1-15(2,3)12-11-17-10-8-7-9-13(17)14(12)16(4,5)6;1-15(2,3)13-11-9-7-8-10-12(11)17-14(13)16(4,5)6;1-14(2,3)11-10-17-12(8-7-9-16-17)13(11)15(4,5)6;1-14(2,3)12-11-9-7-8-10-17(11)16-13(12)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)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;1-13(2,3)11-10-7-15-8-17(10)9-16-12(11)14(4,5)6;1-13(2,3)10-7-12-16-15-9-17(12)8-11(10)14(4,5)6;1-13(2,3)10-7-12-15-9-16-17(12)8-11(10)14(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;/h7-11H,1-6H3;3*7-10H,1-6H3;10*7-9H,1-6H3;1H4.
What are the key properties of 2,3-ditert-butyl-1-benzofuran;4,5-ditert-butyl-1,2-benzoxazole;5,6-ditert-butyl-1,3-benzoxazole;5,6-ditert-butylfuro[2,3-b]pyridine;5,6-ditert-butylfuro[3,2-b]pyridine;4,5-ditert-butylfuro[2,3-c]pyridine;7,8-ditert-butylimidazo[1,5-c]pyrimidine;1,2-ditert-butylindolizine;6,7-ditert-butylpyrazolo[1,5-a]pyrazine;2,3-ditert-butylpyrazolo[1,5-a]pyridine;5,6-ditert-butylpyrrolo[1,2-b]pyridazine;5,6-ditert-butyltriazolo[1,5-a]pyridine;6,7-ditert-butyl-[1,2,4]triazolo[1,5-a]pyridine;6,7-ditert-butyl-[1,2,4]triazolo[4,3-a]pyridine;methane?
2,3-ditert-butyl-1-benzofuran;4,5-ditert-butyl-1,2-benzoxazole;5,6-ditert-butyl-1,3-benzoxazole;5,6-ditert-butylfuro[2,3-b]pyridine;5,6-ditert-butylfuro[3,2-b]pyridine;4,5-ditert-butylfuro[2,3-c]pyridine;7,8-ditert-butylimidazo[1,5-c]pyrimidine;1,2-ditert-butylindolizine;6,7-ditert-butylpyrazolo[1,5-a]pyrazine;2,3-ditert-butylpyrazolo[1,5-a]pyridine;5,6-ditert-butylpyrrolo[1,2-b]pyridazine;5,6-ditert-butyltriazolo[1,5-a]pyridine;6,7-ditert-butyl-[1,2,4]triazolo[1,5-a]pyridine;6,7-ditert-butyl-[1,2,4]triazolo[4,3-a]pyridine;methane has a molecular weight of 3249.88 g/mol, XLogP of 56.79, 0 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-ditert-butyl-1-benzofuran;4,5-ditert-butyl-1,2-benzoxazole;5,6-ditert-butyl-1,3-benzoxazole;5,6-ditert-butylfuro[2,3-b]pyridine;5,6-ditert-butylfuro[3,2-b]pyridine;4,5-ditert-butylfuro[2,3-c]pyridine;7,8-ditert-butylimidazo[1,5-c]pyrimidine;1,2-ditert-butylindolizine;6,7-ditert-butylpyrazolo[1,5-a]pyrazine;2,3-ditert-butylpyrazolo[1,5-a]pyridine;5,6-ditert-butylpyrrolo[1,2-b]pyridazine;5,6-ditert-butyltriazolo[1,5-a]pyridine;6,7-ditert-butyl-[1,2,4]triazolo[1,5-a]pyridine;6,7-ditert-butyl-[1,2,4]triazolo[4,3-a]pyridine;methane is sourced from PubChem (CID 158431370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).