2-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzoxazol-2-amine;3-tert-butyl-1,2-benzoxazole;4-tert-butylfuro[3,2-c]pyridine;2-tert-butyl-5-methoxy-1-benzofuran;3-tert-butyl-4-methoxy-1-methylindazole;6-tert-butyl-2-methyl-1,3-benzoxazole;3-tert-butyl-1-methylindazole;3-tert-butyl-2-methylindazole;5-tert-butyl-7-methyl-1H-indazole;4-tert-butyl-1-methylindole;6-tert-butyl-5-methyl-1H-indole;3-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;4-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;bis(5-tert-butyl-4-methyl-1H-pyrrolo[2,3-b]pyridine)

C205H263N23O9 — CID 157356107

IUPAC2-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzoxazol-2-amine;3-tert-butyl-1,2-benzoxazole;4-tert-butylfuro[3,2-c]pyridine;2-tert-butyl-5-methoxy-1-benzofuran;3-tert-butyl-4-methoxy-1-methylindazole;6-tert-butyl-2-methyl-1,3-benzoxazole;3-tert-butyl-1-methylindazole;3-tert-butyl-2-methylindazole;5-tert-butyl-7-methyl-1H-indazole;4-tert-butyl-1-methylindole;6-tert-butyl-5-methyl-1H-indole;3-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;4-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;bis(5-tert-butyl-4-methyl-1H-pyrrolo[2,3-b]pyridine)
SMILESCC(C)(C)c1cc2ccccc2o1.CC(C)(C)c1ccc2ccoc2c1.CC(C)(C)c1ccc2nc(N)oc2c1.CC(C)(C)c1nccc2occc12.CC(C)(C)c1noc2ccccc12.COc1ccc2oc(C(C)(C)C)cc2c1.COc1cccc2c1c(C(C)(C)C)nn2C.Cc1c(C(C)(C)C)cnc2[nH]ccc12.Cc1c(C(C)(C)C)cnc2[nH]ccc12.Cc1cc(C(C)(C)C)cc2cn[nH]c12.Cc1cc2cc[nH]c2cc1C(C)(C)C.Cc1nc2ccc(C(C)(C)C)cc2o1.Cn1cc(C(C)(C)C)c2cccnc21.Cn1ccc2c(C(C)(C)C)cccc21.Cn1ccc2c(C(C)(C)C)ccnc21.Cn1nc(C(C)(C)C)c2ccccc21.Cn1nc2ccccc2c1C(C)(C)C
InChIInChI=1S/C13H18N2O.2C13H17N.C13H16O2.7C12H16N2.C12H15NO.2C12H14O.C11H14N2O.2C11H13NO/c1-13(2,3)12-11-9(15(4)14-12)7-6-8-10(11)16-5;1-9-7-10-5-6-14-12(10)8-11(9)13(2,3)4;1-13(2,3)11-6-5-7-12-10(11)8-9-14(12)4;1-13(2,3)12-8-9-7-10(14-4)5-6-11(9)15-12;1-8-5-10(12(2,3)4)6-9-7-13-14-11(8)9;1-12(2,3)10-5-7-13-11-9(10)6-8-14(11)4;2*1-8-9-5-6-13-11(9)14-7-10(8)12(2,3)4;1-12(2,3)10-8-14(4)11-9(10)6-5-7-13-11;1-12(2,3)11-9-7-5-6-8-10(9)14(4)13-11;1-12(2,3)11-9-7-5-6-8-10(9)13-14(11)4;1-8-13-10-6-5-9(12(2,3)4)7-11(10)14-8;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-11(2,3)7-4-5-8-9(6-7)14-10(12)13-8;1-11(2,3)10-8-5-7-13-9(8)4-6-12-10;1-11(2,3)10-8-6-4-5-7-9(8)13-12-10/h6-8H,1-5H3;5-8,14H,1-4H3;5-9H,1-4H3;5-8H,1-4H3;5-7H,1-4H3,(H,13,14);5-8H,1-4H3;2*5-7H,1-4H3,(H,13,14);3*5-8H,1-4H3;5-7H,1-4H3;2*4-8H,1-3H3;4-6H,1-3H3,(H2,12,13);2*4-7H,1-3H3
InChIKeyBICGHHMZTAXQOY-UHFFFAOYSA-N
MW3193.51 g/mol
LogP54.71
Rot. Bonds2

About 2-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzoxazol-2-amine;3-tert-butyl-1,2-benzoxazole;4-tert-butylfuro[3,2-c]pyridine;2-tert-butyl-5-methoxy-1-benzofuran;3-tert-butyl-4-methoxy-1-methylindazole;6-tert-butyl-2-methyl-1,3-benzoxazole;3-tert-butyl-1-methylindazole;3-tert-butyl-2-methylindazole;5-tert-butyl-7-methyl-1H-indazole;4-tert-butyl-1-methylindole;6-tert-butyl-5-methyl-1H-indole;3-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;4-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;bis(5-tert-butyl-4-methyl-1H-pyrrolo[2,3-b]pyridine)

2-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzoxazol-2-amine;3-tert-butyl-1,2-benzoxazole;4-tert-butylfuro[3,2-c]pyridine;2-tert-butyl-5-methoxy-1-benzofuran;3-tert-butyl-4-methoxy-1-methylindazole;6-tert-butyl-2-methyl-1,3-benzoxazole;3-tert-butyl-1-methylindazole;3-tert-butyl-2-methylindazole;5-tert-butyl-7-methyl-1H-indazole;4-tert-butyl-1-methylindole;6-tert-butyl-5-methyl-1H-indole;3-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;4-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;bis(5-tert-butyl-4-methyl-1H-pyrrolo[2,3-b]pyridine) (PubChem CID 157356107) has the molecular formula C205H263N23O9 and a molecular weight of 3193.51 g/mol. Its IUPAC name is 2-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzoxazol-2-amine;3-tert-butyl-1,2-benzoxazole;4-tert-butylfuro[3,2-c]pyridine;2-tert-butyl-5-methoxy-1-benzofuran;3-tert-butyl-4-methoxy-1-methylindazole;6-tert-butyl-2-methyl-1,3-benzoxazole;3-tert-butyl-1-methylindazole;3-tert-butyl-2-methylindazole;5-tert-butyl-7-methyl-1H-indazole;4-tert-butyl-1-methylindole;6-tert-butyl-5-methyl-1H-indole;3-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;4-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;bis(5-tert-butyl-4-methyl-1H-pyrrolo[2,3-b]pyridine).

Molecular Properties

Compound Name2-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzoxazol-2-amine;3-tert-butyl-1,2-benzoxazole;4-tert-butylfuro[3,2-c]pyridine;2-tert-butyl-5-methoxy-1-benzofuran;3-tert-butyl-4-methoxy-1-methylindazole;6-tert-butyl-2-methyl-1,3-benzoxazole;3-tert-butyl-1-methylindazole;3-tert-butyl-2-methylindazole;5-tert-butyl-7-methyl-1H-indazole;4-tert-butyl-1-methylindole;6-tert-butyl-5-methyl-1H-indole;3-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;4-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;bis(5-tert-butyl-4-methyl-1H-pyrrolo[2,3-b]pyridine)
PubChem CID157356107
Molecular FormulaC205H263N23O9
Molecular Weight3193.51 g/mol
Exact Mass3191.08
IUPAC Name2-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzoxazol-2-amine;3-tert-butyl-1,2-benzoxazole;4-tert-butylfuro[3,2-c]pyridine;2-tert-butyl-5-methoxy-1-benzofuran;3-tert-butyl-4-methoxy-1-methylindazole;6-tert-butyl-2-methyl-1,3-benzoxazole;3-tert-butyl-1-methylindazole;3-tert-butyl-2-methylindazole;5-tert-butyl-7-methyl-1H-indazole;4-tert-butyl-1-methylindole;6-tert-butyl-5-methyl-1H-indole;3-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;4-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;bis(5-tert-butyl-4-methyl-1H-pyrrolo[2,3-b]pyridine)
SMILESCC(C)(C)c1cc2ccccc2o1.CC(C)(C)c1ccc2ccoc2c1.CC(C)(C)c1ccc2nc(N)oc2c1.CC(C)(C)c1nccc2occc12.CC(C)(C)c1noc2ccccc12.COc1ccc2oc(C(C)(C)C)cc2c1.COc1cccc2c1c(C(C)(C)C)nn2C.Cc1c(C(C)(C)C)cnc2[nH]ccc12.Cc1c(C(C)(C)C)cnc2[nH]ccc12.Cc1cc(C(C)(C)C)cc2cn[nH]c12.Cc1cc2cc[nH]c2cc1C(C)(C)C.Cc1nc2ccc(C(C)(C)C)cc2o1.Cn1cc(C(C)(C)C)c2cccnc21.Cn1ccc2c(C(C)(C)C)cccc21.Cn1ccc2c(C(C)(C)C)ccnc21.Cn1nc(C(C)(C)C)c2ccccc21.Cn1nc2ccccc2c1C(C)(C)C
InChIInChI=1S/C13H18N2O.2C13H17N.C13H16O2.7C12H16N2.C12H15NO.2C12H14O.C11H14N2O.2C11H13NO/c1-13(2,3)12-11-9(15(4)14-12)7-6-8-10(11)16-5;1-9-7-10-5-6-14-12(10)8-11(9)13(2,3)4;1-13(2,3)11-6-5-7-12-10(11)8-9-14(12)4;1-13(2,3)12-8-9-7-10(14-4)5-6-11(9)15-12;1-8-5-10(12(2,3)4)6-9-7-13-14-11(8)9;1-12(2,3)10-5-7-13-11-9(10)6-8-14(11)4;2*1-8-9-5-6-13-11(9)14-7-10(8)12(2,3)4;1-12(2,3)10-8-14(4)11-9(10)6-5-7-13-11;1-12(2,3)11-9-7-5-6-8-10(9)14(4)13-11;1-12(2,3)11-9-7-5-6-8-10(9)13-14(11)4;1-8-13-10-6-5-9(12(2,3)4)7-11(10)14-8;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-11(2,3)7-4-5-8-9(6-7)14-10(12)13-8;1-11(2,3)10-8-5-7-13-9(8)4-6-12-10;1-11(2,3)10-8-6-4-5-7-9(8)13-12-10/h6-8H,1-5H3;5-8,14H,1-4H3;5-9H,1-4H3;5-8H,1-4H3;5-7H,1-4H3,(H,13,14);5-8H,1-4H3;2*5-7H,1-4H3,(H,13,14);3*5-8H,1-4H3;5-7H,1-4H3;2*4-8H,1-3H3;4-6H,1-3H3,(H2,12,13);2*4-7H,1-3H3
InChIKeyBICGHHMZTAXQOY-UHFFFAOYSA-N
XLogP54.71
TPSA383.88 Ų
H-Bond Donors5
H-Bond Acceptors28
Rotatable Bonds2
Heavy Atoms237
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003193.51
LogP ≤ 554.71
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1028

Analyze 2-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzoxazol-2-amine;3-tert-butyl-1,2-benzoxazole;4-tert-butylfuro[3,2-c]pyridine;2-tert-butyl-5-methoxy-1-benzofuran;3-tert-butyl-4-methoxy-1-methylindazole;6-tert-butyl-2-methyl-1,3-benzoxazole;3-tert-butyl-1-methylindazole;3-tert-butyl-2-methylindazole;5-tert-butyl-7-methyl-1H-indazole;4-tert-butyl-1-methylindole;6-tert-butyl-5-methyl-1H-indole;3-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;4-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;bis(5-tert-butyl-4-methyl-1H-pyrrolo[2,3-b]pyridine) with MolForge

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Related Compounds

4,5-dimethyl-1-phenylpyrazole;3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole;2-(4-fluorophenoxy)-3-methylpyridine;1-(4-fluorophenyl)-4,5-dimethylpyrazole;1-(4-fluorophenyl)-4-methyl-5-(trifluoromethyl)pyrazole;4-methoxy-1,3-dimethylindole;5-(4-methoxyphenyl)-3-methyl-1,2-oxazole;3-methyl-2-phenoxypyridine;5-methyl-2-phenoxypyridine;3-methyl-5-phenylpyridine;4-methyl-2-phenyl-5-(trifluoromethyl)-1,3-oxazole;4-methyl-1-phenyl-5-(trifluoromethyl)pyrazole;4-methyl-2-piperidin-1-ylpyridine;5-methyl-2-piperidin-1-ylpyridine;3-methyl-7-(trifluoromethyl)-1H-quinolin-4-one
CID 157815435
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
CID 165088553
CID 165088553
N-(1H-indazol-5-yl)-4-methoxy-7-[[6-[4-methoxy-2-[4-(1H-pyrazol-4-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-1,3-benzoxazol-2-yl]methyl]-5-(2-methyl-1,3-benzoxazol-6-yl)pyrrolo[2,3-d]pyrimidin-2-amine
CID 132033731
2-[2-(1H-imidazol-2-yl)-1-isoquinolin-1-yl-6-(1,2-oxazol-3-yl)-7-(1,3-oxazol-2-yl)-4-(1H-pyrazol-3-yl)benzimidazol-5-yl]-1,3-benzoxazole
CID 141151092
2-[8-(1-benzofuran-2-yl)-4a-(1-benzothiophen-2-yl)-7-(1H-benzotriazol-4-yl)-6-(furan-2-yl)-4,8-bis(1H-indol-2-yl)-6-isoquinolin-1-yl-4-(1,2-oxazol-3-yl)-3-pyrazin-2-yl-8a-(1H-pyrazol-3-yl)-3-pyridazin-3-yl-2-pyridin-2-yl-2-pyrimidin-2-yl-7-quinolin-2-yl-1-(3-quinoxalin-2-yl-1H-pyrrol-2-yl)-5-thiophen-2-ylquinolin-5-yl]-1,3-oxazole
CID 141247465
2-[2-[4-acridin-1-yl-5-(9H-carbazol-1-yl)-6-cinnolin-3-ylpyrimidin-2-yl]-8a-(1H-benzimidazol-2-yl)-1-[3-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-2-(1H-benzotriazol-4-yl)-1-(furan-2-yl)-3-(1H-indol-2-yl)-4-(1H-pyrazol-3-yl)-5-quinoxalin-2-yl-5-thiophen-2-ylpyrrolidin-2-yl]-5-(2,3-dihydro-1H-isoindol-1-yl)-4a-(1H-imidazo[4,5-b]pyridin-2-yl)-7-(1H-indazol-3-yl)-4-(1H-indol-2-yl)-8-(2H-isoindol-1-yl)-6-isoquinolin-1-yl-5-(oxadiazol-4-yl)-4-(1,2-oxazol-3-yl)-6-(1,3-oxazol-2-yl)-3-pyrazin-2-yl-3-pyridazin-3-yl-2-pyridin-2-yl-7-quinolin-2-ylquinolin-8-yl]-1,3-benzoxazole
CID 141734411
N-[5-(furan-3-yl)-3-[3-[4-[5-(furan-3-yl)-2-methoxy-4-[5-[4-[2-methoxy-5-(2-methylpyrazol-3-yl)anilino]-1H-pyrazolo[5,4-d]pyrimidin-3-yl]furan-3-yl]anilino]-1H-pyrazolo[5,4-d]pyrimidin-3-yl]phenyl]-2-methoxyphenyl]-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 145387986
N-[5-(furan-3-yl)-3-[3-[4-[5-(furan-3-yl)-2-methoxy-4-[5-[4-[2-methoxy-5-(2-methylpyrazol-3-yl)anilino]-1H-pyrazolo[5,4-d]pyrimidin-3-yl]furan-3-yl]anilino]-2,3-dihydro-1H-pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-2-methoxyphenyl]-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 145387998
3-tert-butyl-1,2-benzoxazole;2-tert-butyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-tert-butyl-5-methoxy-1H-indene;2-tert-butyl-6-methoxypyrazine;4-tert-butyl-2-methoxypyrimidine;3-tert-butyl-1-methylindazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;2-tert-butyl-6-methylpyrazine;3-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;2-tert-butyl-5H-pyrrolo[2,3-b]pyrazine;3-tert-butyl-4,5,6,7-tetrahydro-1H-indazole
CID 157181921
4-[[4-[(2S)-butan-2-yl]oxy-5-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[[4-cyclopentyloxy-5-(3-methyl-1,2-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[[4-cyclopentyloxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]methyl]-3-methoxybenzonitrile;4-[[4-cyclopentyloxy-5-(1-methylindazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide
CID 157251874
N-[3-[(1-acetylindol-3-yl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(2-hydroxy-4-methylphenyl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(2-hydroxyphenyl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-(1H-indol-3-ylmethylamino)propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(5-methoxy-3-pyridinyl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(2-methyl-1,3-oxazol-5-yl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(3-methyl-1,2-oxazol-5-yl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;3-phenyl-N-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)propyl]-1H-pyrazole-5-carboxamide
CID 157309391

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzoxazol-2-amine;3-tert-butyl-1,2-benzoxazole;4-tert-butylfuro[3,2-c]pyridine;2-tert-butyl-5-methoxy-1-benzofuran;3-tert-butyl-4-methoxy-1-methylindazole;6-tert-butyl-2-methyl-1,3-benzoxazole;3-tert-butyl-1-methylindazole;3-tert-butyl-2-methylindazole;5-tert-butyl-7-methyl-1H-indazole;4-tert-butyl-1-methylindole;6-tert-butyl-5-methyl-1H-indole;3-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;4-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;bis(5-tert-butyl-4-methyl-1H-pyrrolo[2,3-b]pyridine)?
The IUPAC name of 2-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzoxazol-2-amine;3-tert-butyl-1,2-benzoxazole;4-tert-butylfuro[3,2-c]pyridine;2-tert-butyl-5-methoxy-1-benzofuran;3-tert-butyl-4-methoxy-1-methylindazole;6-tert-butyl-2-methyl-1,3-benzoxazole;3-tert-butyl-1-methylindazole;3-tert-butyl-2-methylindazole;5-tert-butyl-7-methyl-1H-indazole;4-tert-butyl-1-methylindole;6-tert-butyl-5-methyl-1H-indole;3-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;4-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;bis(5-tert-butyl-4-methyl-1H-pyrrolo[2,3-b]pyridine) (CID 157356107) is 2-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzoxazol-2-amine;3-tert-butyl-1,2-benzoxazole;4-tert-butylfuro[3,2-c]pyridine;2-tert-butyl-5-methoxy-1-benzofuran;3-tert-butyl-4-methoxy-1-methylindazole;6-tert-butyl-2-methyl-1,3-benzoxazole;3-tert-butyl-1-methylindazole;3-tert-butyl-2-methylindazole;5-tert-butyl-7-methyl-1H-indazole;4-tert-butyl-1-methylindole;6-tert-butyl-5-methyl-1H-indole;3-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;4-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;bis(5-tert-butyl-4-methyl-1H-pyrrolo[2,3-b]pyridine).
What is the SMILES notation for 2-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzoxazol-2-amine;3-tert-butyl-1,2-benzoxazole;4-tert-butylfuro[3,2-c]pyridine;2-tert-butyl-5-methoxy-1-benzofuran;3-tert-butyl-4-methoxy-1-methylindazole;6-tert-butyl-2-methyl-1,3-benzoxazole;3-tert-butyl-1-methylindazole;3-tert-butyl-2-methylindazole;5-tert-butyl-7-methyl-1H-indazole;4-tert-butyl-1-methylindole;6-tert-butyl-5-methyl-1H-indole;3-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;4-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;bis(5-tert-butyl-4-methyl-1H-pyrrolo[2,3-b]pyridine)?
The canonical SMILES for 2-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzoxazol-2-amine;3-tert-butyl-1,2-benzoxazole;4-tert-butylfuro[3,2-c]pyridine;2-tert-butyl-5-methoxy-1-benzofuran;3-tert-butyl-4-methoxy-1-methylindazole;6-tert-butyl-2-methyl-1,3-benzoxazole;3-tert-butyl-1-methylindazole;3-tert-butyl-2-methylindazole;5-tert-butyl-7-methyl-1H-indazole;4-tert-butyl-1-methylindole;6-tert-butyl-5-methyl-1H-indole;3-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;4-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;bis(5-tert-butyl-4-methyl-1H-pyrrolo[2,3-b]pyridine) is CC(C)(C)c1cc2ccccc2o1.CC(C)(C)c1ccc2ccoc2c1.CC(C)(C)c1ccc2nc(N)oc2c1.CC(C)(C)c1nccc2occc12.CC(C)(C)c1noc2ccccc12.COc1ccc2oc(C(C)(C)C)cc2c1.COc1cccc2c1c(C(C)(C)C)nn2C.Cc1c(C(C)(C)C)cnc2[nH]ccc12.Cc1c(C(C)(C)C)cnc2[nH]ccc12.Cc1cc(C(C)(C)C)cc2cn[nH]c12.Cc1cc2cc[nH]c2cc1C(C)(C)C.Cc1nc2ccc(C(C)(C)C)cc2o1.Cn1cc(C(C)(C)C)c2cccnc21.Cn1ccc2c(C(C)(C)C)cccc21.Cn1ccc2c(C(C)(C)C)ccnc21.Cn1nc(C(C)(C)C)c2ccccc21.Cn1nc2ccccc2c1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzoxazol-2-amine;3-tert-butyl-1,2-benzoxazole;4-tert-butylfuro[3,2-c]pyridine;2-tert-butyl-5-methoxy-1-benzofuran;3-tert-butyl-4-methoxy-1-methylindazole;6-tert-butyl-2-methyl-1,3-benzoxazole;3-tert-butyl-1-methylindazole;3-tert-butyl-2-methylindazole;5-tert-butyl-7-methyl-1H-indazole;4-tert-butyl-1-methylindole;6-tert-butyl-5-methyl-1H-indole;3-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;4-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;bis(5-tert-butyl-4-methyl-1H-pyrrolo[2,3-b]pyridine)?
The InChIKey is BICGHHMZTAXQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O.2C13H17N.C13H16O2.7C12H16N2.C12H15NO.2C12H14O.C11H14N2O.2C11H13NO/c1-13(2,3)12-11-9(15(4)14-12)7-6-8-10(11)16-5;1-9-7-10-5-6-14-12(10)8-11(9)13(2,3)4;1-13(2,3)11-6-5-7-12-10(11)8-9-14(12)4;1-13(2,3)12-8-9-7-10(14-4)5-6-11(9)15-12;1-8-5-10(12(2,3)4)6-9-7-13-14-11(8)9;1-12(2,3)10-5-7-13-11-9(10)6-8-14(11)4;2*1-8-9-5-6-13-11(9)14-7-10(8)12(2,3)4;1-12(2,3)10-8-14(4)11-9(10)6-5-7-13-11;1-12(2,3)11-9-7-5-6-8-10(9)14(4)13-11;1-12(2,3)11-9-7-5-6-8-10(9)13-14(11)4;1-8-13-10-6-5-9(12(2,3)4)7-11(10)14-8;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-11(2,3)7-4-5-8-9(6-7)14-10(12)13-8;1-11(2,3)10-8-5-7-13-9(8)4-6-12-10;1-11(2,3)10-8-6-4-5-7-9(8)13-12-10/h6-8H,1-5H3;5-8,14H,1-4H3;5-9H,1-4H3;5-8H,1-4H3;5-7H,1-4H3,(H,13,14);5-8H,1-4H3;2*5-7H,1-4H3,(H,13,14);3*5-8H,1-4H3;5-7H,1-4H3;2*4-8H,1-3H3;4-6H,1-3H3,(H2,12,13);2*4-7H,1-3H3.
What are the key properties of 2-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzoxazol-2-amine;3-tert-butyl-1,2-benzoxazole;4-tert-butylfuro[3,2-c]pyridine;2-tert-butyl-5-methoxy-1-benzofuran;3-tert-butyl-4-methoxy-1-methylindazole;6-tert-butyl-2-methyl-1,3-benzoxazole;3-tert-butyl-1-methylindazole;3-tert-butyl-2-methylindazole;5-tert-butyl-7-methyl-1H-indazole;4-tert-butyl-1-methylindole;6-tert-butyl-5-methyl-1H-indole;3-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;4-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;bis(5-tert-butyl-4-methyl-1H-pyrrolo[2,3-b]pyridine)?
2-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzoxazol-2-amine;3-tert-butyl-1,2-benzoxazole;4-tert-butylfuro[3,2-c]pyridine;2-tert-butyl-5-methoxy-1-benzofuran;3-tert-butyl-4-methoxy-1-methylindazole;6-tert-butyl-2-methyl-1,3-benzoxazole;3-tert-butyl-1-methylindazole;3-tert-butyl-2-methylindazole;5-tert-butyl-7-methyl-1H-indazole;4-tert-butyl-1-methylindole;6-tert-butyl-5-methyl-1H-indole;3-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;4-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;bis(5-tert-butyl-4-methyl-1H-pyrrolo[2,3-b]pyridine) has a molecular weight of 3193.51 g/mol, XLogP of 54.71, 2 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzoxazol-2-amine;3-tert-butyl-1,2-benzoxazole;4-tert-butylfuro[3,2-c]pyridine;2-tert-butyl-5-methoxy-1-benzofuran;3-tert-butyl-4-methoxy-1-methylindazole;6-tert-butyl-2-methyl-1,3-benzoxazole;3-tert-butyl-1-methylindazole;3-tert-butyl-2-methylindazole;5-tert-butyl-7-methyl-1H-indazole;4-tert-butyl-1-methylindole;6-tert-butyl-5-methyl-1H-indole;3-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;4-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;bis(5-tert-butyl-4-methyl-1H-pyrrolo[2,3-b]pyridine) is sourced from PubChem (CID 157356107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).