bis(7-propan-2-yl-1-benzofuran);7-propan-2-yl-1,2,3-benzoxadiazole;7-propan-2-yl-1,2-benzoxazole;7-propan-2-yl-1,3-benzoxazole;7-propan-2-ylfuro[3,2-b]pyridine;4-propan-2-ylfuro[3,2-c]pyridazine;tris(7-propan-2-ylfuro[2,3-c]pyridine);7-propan-2-ylfuro[3,2-c]pyridine;7-propan-2-ylfuro[2,3-d]pyridazine;4-propan-2-ylfuro[3,2-d]pyrimidine;2-propan-2-yl-[1,3]oxazolo[4,5-b]pyrazine;6-propan-2-yl-[1,3]oxazolo[5,4-c]pyridazine;4-propan-2-yl-[1,3]oxazolo[5,4-c]pyridine;7-propan-2-yl-[1,2]oxazolo[5,4-c]pyridine;bis(2-propan-2-yl-[1,3]oxazolo[5,4-d]pyrimidine)

C178H197N31O19 — CID 159017572

IUPACbis(7-propan-2-yl-1-benzofuran);7-propan-2-yl-1,2,3-benzoxadiazole;7-propan-2-yl-1,2-benzoxazole;7-propan-2-yl-1,3-benzoxazole;7-propan-2-ylfuro[3,2-b]pyridine;4-propan-2-ylfuro[3,2-c]pyridazine;tris(7-propan-2-ylfuro[2,3-c]pyridine);7-propan-2-ylfuro[3,2-c]pyridine;7-propan-2-ylfuro[2,3-d]pyridazine;4-propan-2-ylfuro[3,2-d]pyrimidine;2-propan-2-yl-[1,3]oxazolo[4,5-b]pyrazine;6-propan-2-yl-[1,3]oxazolo[5,4-c]pyridazine;4-propan-2-yl-[1,3]oxazolo[5,4-c]pyridine;7-propan-2-yl-[1,2]oxazolo[5,4-c]pyridine;bis(2-propan-2-yl-[1,3]oxazolo[5,4-d]pyrimidine)
SMILESCC(C)c1cccc2ccoc12.CC(C)c1cccc2ccoc12.CC(C)c1cccc2cnoc12.CC(C)c1cccc2ncoc12.CC(C)c1cccc2nnoc12.CC(C)c1ccnc2ccoc12.CC(C)c1cncc2ccoc12.CC(C)c1cnnc2ccoc12.CC(C)c1nc2ccnnc2o1.CC(C)c1nc2cncnc2o1.CC(C)c1nc2cncnc2o1.CC(C)c1nc2nccnc2o1.CC(C)c1nccc2ccoc12.CC(C)c1nccc2ccoc12.CC(C)c1nccc2ccoc12.CC(C)c1nccc2cnoc12.CC(C)c1nccc2ncoc12.CC(C)c1ncnc2ccoc12.CC(C)c1nncc2ccoc12
InChIInChI=1S/2C11H12O.7C10H11NO.6C9H10N2O.4C8H9N3O/c2*1-8(2)10-5-3-4-9-6-7-12-11(9)10;1-7(2)8-3-5-11-9-4-6-12-10(8)9;3*1-7(2)9-10-8(3-5-11-9)4-6-12-10;1-7(2)9-6-11-5-8-3-4-12-10(8)9;1-7(2)8-4-3-5-9-10(8)12-6-11-9;1-7(2)9-5-3-4-8-6-11-12-10(8)9;1-6(2)7-5-10-11-8-3-4-12-9(7)8;1-6(2)8-9-7(3-4-12-9)10-5-11-8;1-6(2)8-9-7(3-4-10-8)11-5-12-9;1-6(2)8-9-7(3-4-12-9)5-10-11-8;1-6(2)8-9-7(3-4-10-8)5-11-12-9;1-6(2)7-4-3-5-8-9(7)12-11-10-8;2*1-5(2)7-11-6-3-9-4-10-8(6)12-7;1-5(2)7-11-6-8(12-7)10-4-3-9-6;1-5(2)7-10-6-3-4-9-11-8(6)12-7/h2*3-8H,1-2H3;7*3-7H,1-2H3;6*3-6H,1-2H3;4*3-5H,1-2H3
InChIKeyJTHARFVVACVARQ-UHFFFAOYSA-N
MW3074.73 g/mol
LogP48.81
Rot. Bonds19

About bis(7-propan-2-yl-1-benzofuran);7-propan-2-yl-1,2,3-benzoxadiazole;7-propan-2-yl-1,2-benzoxazole;7-propan-2-yl-1,3-benzoxazole;7-propan-2-ylfuro[3,2-b]pyridine;4-propan-2-ylfuro[3,2-c]pyridazine;tris(7-propan-2-ylfuro[2,3-c]pyridine);7-propan-2-ylfuro[3,2-c]pyridine;7-propan-2-ylfuro[2,3-d]pyridazine;4-propan-2-ylfuro[3,2-d]pyrimidine;2-propan-2-yl-[1,3]oxazolo[4,5-b]pyrazine;6-propan-2-yl-[1,3]oxazolo[5,4-c]pyridazine;4-propan-2-yl-[1,3]oxazolo[5,4-c]pyridine;7-propan-2-yl-[1,2]oxazolo[5,4-c]pyridine;bis(2-propan-2-yl-[1,3]oxazolo[5,4-d]pyrimidine)

bis(7-propan-2-yl-1-benzofuran);7-propan-2-yl-1,2,3-benzoxadiazole;7-propan-2-yl-1,2-benzoxazole;7-propan-2-yl-1,3-benzoxazole;7-propan-2-ylfuro[3,2-b]pyridine;4-propan-2-ylfuro[3,2-c]pyridazine;tris(7-propan-2-ylfuro[2,3-c]pyridine);7-propan-2-ylfuro[3,2-c]pyridine;7-propan-2-ylfuro[2,3-d]pyridazine;4-propan-2-ylfuro[3,2-d]pyrimidine;2-propan-2-yl-[1,3]oxazolo[4,5-b]pyrazine;6-propan-2-yl-[1,3]oxazolo[5,4-c]pyridazine;4-propan-2-yl-[1,3]oxazolo[5,4-c]pyridine;7-propan-2-yl-[1,2]oxazolo[5,4-c]pyridine;bis(2-propan-2-yl-[1,3]oxazolo[5,4-d]pyrimidine) (PubChem CID 159017572) has the molecular formula C178H197N31O19 and a molecular weight of 3074.73 g/mol. Its IUPAC name is bis(7-propan-2-yl-1-benzofuran);7-propan-2-yl-1,2,3-benzoxadiazole;7-propan-2-yl-1,2-benzoxazole;7-propan-2-yl-1,3-benzoxazole;7-propan-2-ylfuro[3,2-b]pyridine;4-propan-2-ylfuro[3,2-c]pyridazine;tris(7-propan-2-ylfuro[2,3-c]pyridine);7-propan-2-ylfuro[3,2-c]pyridine;7-propan-2-ylfuro[2,3-d]pyridazine;4-propan-2-ylfuro[3,2-d]pyrimidine;2-propan-2-yl-[1,3]oxazolo[4,5-b]pyrazine;6-propan-2-yl-[1,3]oxazolo[5,4-c]pyridazine;4-propan-2-yl-[1,3]oxazolo[5,4-c]pyridine;7-propan-2-yl-[1,2]oxazolo[5,4-c]pyridine;bis(2-propan-2-yl-[1,3]oxazolo[5,4-d]pyrimidine).

Molecular Properties

Compound Namebis(7-propan-2-yl-1-benzofuran);7-propan-2-yl-1,2,3-benzoxadiazole;7-propan-2-yl-1,2-benzoxazole;7-propan-2-yl-1,3-benzoxazole;7-propan-2-ylfuro[3,2-b]pyridine;4-propan-2-ylfuro[3,2-c]pyridazine;tris(7-propan-2-ylfuro[2,3-c]pyridine);7-propan-2-ylfuro[3,2-c]pyridine;7-propan-2-ylfuro[2,3-d]pyridazine;4-propan-2-ylfuro[3,2-d]pyrimidine;2-propan-2-yl-[1,3]oxazolo[4,5-b]pyrazine;6-propan-2-yl-[1,3]oxazolo[5,4-c]pyridazine;4-propan-2-yl-[1,3]oxazolo[5,4-c]pyridine;7-propan-2-yl-[1,2]oxazolo[5,4-c]pyridine;bis(2-propan-2-yl-[1,3]oxazolo[5,4-d]pyrimidine)
PubChem CID159017572
Molecular FormulaC178H197N31O19
Molecular Weight3074.73 g/mol
Exact Mass3072.54
IUPAC Namebis(7-propan-2-yl-1-benzofuran);7-propan-2-yl-1,2,3-benzoxadiazole;7-propan-2-yl-1,2-benzoxazole;7-propan-2-yl-1,3-benzoxazole;7-propan-2-ylfuro[3,2-b]pyridine;4-propan-2-ylfuro[3,2-c]pyridazine;tris(7-propan-2-ylfuro[2,3-c]pyridine);7-propan-2-ylfuro[3,2-c]pyridine;7-propan-2-ylfuro[2,3-d]pyridazine;4-propan-2-ylfuro[3,2-d]pyrimidine;2-propan-2-yl-[1,3]oxazolo[4,5-b]pyrazine;6-propan-2-yl-[1,3]oxazolo[5,4-c]pyridazine;4-propan-2-yl-[1,3]oxazolo[5,4-c]pyridine;7-propan-2-yl-[1,2]oxazolo[5,4-c]pyridine;bis(2-propan-2-yl-[1,3]oxazolo[5,4-d]pyrimidine)
SMILESCC(C)c1cccc2ccoc12.CC(C)c1cccc2ccoc12.CC(C)c1cccc2cnoc12.CC(C)c1cccc2ncoc12.CC(C)c1cccc2nnoc12.CC(C)c1ccnc2ccoc12.CC(C)c1cncc2ccoc12.CC(C)c1cnnc2ccoc12.CC(C)c1nc2ccnnc2o1.CC(C)c1nc2cncnc2o1.CC(C)c1nc2cncnc2o1.CC(C)c1nc2nccnc2o1.CC(C)c1nccc2ccoc12.CC(C)c1nccc2ccoc12.CC(C)c1nccc2ccoc12.CC(C)c1nccc2cnoc12.CC(C)c1nccc2ncoc12.CC(C)c1ncnc2ccoc12.CC(C)c1nncc2ccoc12
InChIInChI=1S/2C11H12O.7C10H11NO.6C9H10N2O.4C8H9N3O/c2*1-8(2)10-5-3-4-9-6-7-12-11(9)10;1-7(2)8-3-5-11-9-4-6-12-10(8)9;3*1-7(2)9-10-8(3-5-11-9)4-6-12-10;1-7(2)9-6-11-5-8-3-4-12-10(8)9;1-7(2)8-4-3-5-9-10(8)12-6-11-9;1-7(2)9-5-3-4-8-6-11-12-10(8)9;1-6(2)7-5-10-11-8-3-4-12-9(7)8;1-6(2)8-9-7(3-4-12-9)10-5-11-8;1-6(2)8-9-7(3-4-10-8)11-5-12-9;1-6(2)8-9-7(3-4-12-9)5-10-11-8;1-6(2)8-9-7(3-4-10-8)5-11-12-9;1-6(2)7-4-3-5-8-9(7)12-11-10-8;2*1-5(2)7-11-6-3-9-4-10-8(6)12-7;1-5(2)7-11-6-8(12-7)10-4-3-9-6;1-5(2)7-10-6-3-4-9-11-8(6)12-7/h2*3-8H,1-2H3;7*3-7H,1-2H3;6*3-6H,1-2H3;4*3-5H,1-2H3
InChIKeyJTHARFVVACVARQ-UHFFFAOYSA-N
XLogP48.81
TPSA649.25 Ų
H-Bond Donors
H-Bond Acceptors50
Rotatable Bonds19
Heavy Atoms228
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003074.73
LogP ≤ 548.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1050

Analyze bis(7-propan-2-yl-1-benzofuran);7-propan-2-yl-1,2,3-benzoxadiazole;7-propan-2-yl-1,2-benzoxazole;7-propan-2-yl-1,3-benzoxazole;7-propan-2-ylfuro[3,2-b]pyridine;4-propan-2-ylfuro[3,2-c]pyridazine;tris(7-propan-2-ylfuro[2,3-c]pyridine);7-propan-2-ylfuro[3,2-c]pyridine;7-propan-2-ylfuro[2,3-d]pyridazine;4-propan-2-ylfuro[3,2-d]pyrimidine;2-propan-2-yl-[1,3]oxazolo[4,5-b]pyrazine;6-propan-2-yl-[1,3]oxazolo[5,4-c]pyridazine;4-propan-2-yl-[1,3]oxazolo[5,4-c]pyridine;7-propan-2-yl-[1,2]oxazolo[5,4-c]pyridine;bis(2-propan-2-yl-[1,3]oxazolo[5,4-d]pyrimidine) with MolForge

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Related Compounds

[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
[2-[(5-Fluoropyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(4-methyl-1,3-oxazol-2-yl)-2-pyridinyl]methanone;[6-methyl-3-(4-methyl-1,3-oxazol-2-yl)-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[5-methyl-2-(triazol-2-yl)phenyl]-[2-[[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-(triazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 158051729
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-(1,1-difluoroethyl)-4-fluorophenyl]-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(2,6-difluorophenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(1,5-dimethylpyrrol-2-yl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(3-fluoro-2-pyridinyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(3-methoxypyrazin-2-yl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(6-methoxy-2-pyridinyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(2-methylpyrimidin-5-yl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-pyridin-2-ylmethanone
CID 158342124
[3-(1,1-difluoroethyl)-4-fluorophenyl]-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(2,6-difluorophenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(3-methoxypyrazin-2-yl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(6-methoxy-2-pyridinyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(4-methylphenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(2-methylpyrimidin-5-yl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-pyridin-2-ylmethanone
CID 158487104
CID 158759252
CID 158759252
3-[(3-Methyl-1,2,4-oxadiazol-5-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(2-methyl-1,3-oxazol-4-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(2-methylpyrazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 159110874
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
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
CID 159771776
CID 159771776
CID 159900649
CID 159900649

Frequently Asked Questions

What is the IUPAC name of bis(7-propan-2-yl-1-benzofuran);7-propan-2-yl-1,2,3-benzoxadiazole;7-propan-2-yl-1,2-benzoxazole;7-propan-2-yl-1,3-benzoxazole;7-propan-2-ylfuro[3,2-b]pyridine;4-propan-2-ylfuro[3,2-c]pyridazine;tris(7-propan-2-ylfuro[2,3-c]pyridine);7-propan-2-ylfuro[3,2-c]pyridine;7-propan-2-ylfuro[2,3-d]pyridazine;4-propan-2-ylfuro[3,2-d]pyrimidine;2-propan-2-yl-[1,3]oxazolo[4,5-b]pyrazine;6-propan-2-yl-[1,3]oxazolo[5,4-c]pyridazine;4-propan-2-yl-[1,3]oxazolo[5,4-c]pyridine;7-propan-2-yl-[1,2]oxazolo[5,4-c]pyridine;bis(2-propan-2-yl-[1,3]oxazolo[5,4-d]pyrimidine)?
The IUPAC name of bis(7-propan-2-yl-1-benzofuran);7-propan-2-yl-1,2,3-benzoxadiazole;7-propan-2-yl-1,2-benzoxazole;7-propan-2-yl-1,3-benzoxazole;7-propan-2-ylfuro[3,2-b]pyridine;4-propan-2-ylfuro[3,2-c]pyridazine;tris(7-propan-2-ylfuro[2,3-c]pyridine);7-propan-2-ylfuro[3,2-c]pyridine;7-propan-2-ylfuro[2,3-d]pyridazine;4-propan-2-ylfuro[3,2-d]pyrimidine;2-propan-2-yl-[1,3]oxazolo[4,5-b]pyrazine;6-propan-2-yl-[1,3]oxazolo[5,4-c]pyridazine;4-propan-2-yl-[1,3]oxazolo[5,4-c]pyridine;7-propan-2-yl-[1,2]oxazolo[5,4-c]pyridine;bis(2-propan-2-yl-[1,3]oxazolo[5,4-d]pyrimidine) (CID 159017572) is bis(7-propan-2-yl-1-benzofuran);7-propan-2-yl-1,2,3-benzoxadiazole;7-propan-2-yl-1,2-benzoxazole;7-propan-2-yl-1,3-benzoxazole;7-propan-2-ylfuro[3,2-b]pyridine;4-propan-2-ylfuro[3,2-c]pyridazine;tris(7-propan-2-ylfuro[2,3-c]pyridine);7-propan-2-ylfuro[3,2-c]pyridine;7-propan-2-ylfuro[2,3-d]pyridazine;4-propan-2-ylfuro[3,2-d]pyrimidine;2-propan-2-yl-[1,3]oxazolo[4,5-b]pyrazine;6-propan-2-yl-[1,3]oxazolo[5,4-c]pyridazine;4-propan-2-yl-[1,3]oxazolo[5,4-c]pyridine;7-propan-2-yl-[1,2]oxazolo[5,4-c]pyridine;bis(2-propan-2-yl-[1,3]oxazolo[5,4-d]pyrimidine).
What is the SMILES notation for bis(7-propan-2-yl-1-benzofuran);7-propan-2-yl-1,2,3-benzoxadiazole;7-propan-2-yl-1,2-benzoxazole;7-propan-2-yl-1,3-benzoxazole;7-propan-2-ylfuro[3,2-b]pyridine;4-propan-2-ylfuro[3,2-c]pyridazine;tris(7-propan-2-ylfuro[2,3-c]pyridine);7-propan-2-ylfuro[3,2-c]pyridine;7-propan-2-ylfuro[2,3-d]pyridazine;4-propan-2-ylfuro[3,2-d]pyrimidine;2-propan-2-yl-[1,3]oxazolo[4,5-b]pyrazine;6-propan-2-yl-[1,3]oxazolo[5,4-c]pyridazine;4-propan-2-yl-[1,3]oxazolo[5,4-c]pyridine;7-propan-2-yl-[1,2]oxazolo[5,4-c]pyridine;bis(2-propan-2-yl-[1,3]oxazolo[5,4-d]pyrimidine)?
The canonical SMILES for bis(7-propan-2-yl-1-benzofuran);7-propan-2-yl-1,2,3-benzoxadiazole;7-propan-2-yl-1,2-benzoxazole;7-propan-2-yl-1,3-benzoxazole;7-propan-2-ylfuro[3,2-b]pyridine;4-propan-2-ylfuro[3,2-c]pyridazine;tris(7-propan-2-ylfuro[2,3-c]pyridine);7-propan-2-ylfuro[3,2-c]pyridine;7-propan-2-ylfuro[2,3-d]pyridazine;4-propan-2-ylfuro[3,2-d]pyrimidine;2-propan-2-yl-[1,3]oxazolo[4,5-b]pyrazine;6-propan-2-yl-[1,3]oxazolo[5,4-c]pyridazine;4-propan-2-yl-[1,3]oxazolo[5,4-c]pyridine;7-propan-2-yl-[1,2]oxazolo[5,4-c]pyridine;bis(2-propan-2-yl-[1,3]oxazolo[5,4-d]pyrimidine) is CC(C)c1cccc2ccoc12.CC(C)c1cccc2ccoc12.CC(C)c1cccc2cnoc12.CC(C)c1cccc2ncoc12.CC(C)c1cccc2nnoc12.CC(C)c1ccnc2ccoc12.CC(C)c1cncc2ccoc12.CC(C)c1cnnc2ccoc12.CC(C)c1nc2ccnnc2o1.CC(C)c1nc2cncnc2o1.CC(C)c1nc2cncnc2o1.CC(C)c1nc2nccnc2o1.CC(C)c1nccc2ccoc12.CC(C)c1nccc2ccoc12.CC(C)c1nccc2ccoc12.CC(C)c1nccc2cnoc12.CC(C)c1nccc2ncoc12.CC(C)c1ncnc2ccoc12.CC(C)c1nncc2ccoc12.
What is the InChIKey of bis(7-propan-2-yl-1-benzofuran);7-propan-2-yl-1,2,3-benzoxadiazole;7-propan-2-yl-1,2-benzoxazole;7-propan-2-yl-1,3-benzoxazole;7-propan-2-ylfuro[3,2-b]pyridine;4-propan-2-ylfuro[3,2-c]pyridazine;tris(7-propan-2-ylfuro[2,3-c]pyridine);7-propan-2-ylfuro[3,2-c]pyridine;7-propan-2-ylfuro[2,3-d]pyridazine;4-propan-2-ylfuro[3,2-d]pyrimidine;2-propan-2-yl-[1,3]oxazolo[4,5-b]pyrazine;6-propan-2-yl-[1,3]oxazolo[5,4-c]pyridazine;4-propan-2-yl-[1,3]oxazolo[5,4-c]pyridine;7-propan-2-yl-[1,2]oxazolo[5,4-c]pyridine;bis(2-propan-2-yl-[1,3]oxazolo[5,4-d]pyrimidine)?
The InChIKey is JTHARFVVACVARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H12O.7C10H11NO.6C9H10N2O.4C8H9N3O/c2*1-8(2)10-5-3-4-9-6-7-12-11(9)10;1-7(2)8-3-5-11-9-4-6-12-10(8)9;3*1-7(2)9-10-8(3-5-11-9)4-6-12-10;1-7(2)9-6-11-5-8-3-4-12-10(8)9;1-7(2)8-4-3-5-9-10(8)12-6-11-9;1-7(2)9-5-3-4-8-6-11-12-10(8)9;1-6(2)7-5-10-11-8-3-4-12-9(7)8;1-6(2)8-9-7(3-4-12-9)10-5-11-8;1-6(2)8-9-7(3-4-10-8)11-5-12-9;1-6(2)8-9-7(3-4-12-9)5-10-11-8;1-6(2)8-9-7(3-4-10-8)5-11-12-9;1-6(2)7-4-3-5-8-9(7)12-11-10-8;2*1-5(2)7-11-6-3-9-4-10-8(6)12-7;1-5(2)7-11-6-8(12-7)10-4-3-9-6;1-5(2)7-10-6-3-4-9-11-8(6)12-7/h2*3-8H,1-2H3;7*3-7H,1-2H3;6*3-6H,1-2H3;4*3-5H,1-2H3.
What are the key properties of bis(7-propan-2-yl-1-benzofuran);7-propan-2-yl-1,2,3-benzoxadiazole;7-propan-2-yl-1,2-benzoxazole;7-propan-2-yl-1,3-benzoxazole;7-propan-2-ylfuro[3,2-b]pyridine;4-propan-2-ylfuro[3,2-c]pyridazine;tris(7-propan-2-ylfuro[2,3-c]pyridine);7-propan-2-ylfuro[3,2-c]pyridine;7-propan-2-ylfuro[2,3-d]pyridazine;4-propan-2-ylfuro[3,2-d]pyrimidine;2-propan-2-yl-[1,3]oxazolo[4,5-b]pyrazine;6-propan-2-yl-[1,3]oxazolo[5,4-c]pyridazine;4-propan-2-yl-[1,3]oxazolo[5,4-c]pyridine;7-propan-2-yl-[1,2]oxazolo[5,4-c]pyridine;bis(2-propan-2-yl-[1,3]oxazolo[5,4-d]pyrimidine)?
bis(7-propan-2-yl-1-benzofuran);7-propan-2-yl-1,2,3-benzoxadiazole;7-propan-2-yl-1,2-benzoxazole;7-propan-2-yl-1,3-benzoxazole;7-propan-2-ylfuro[3,2-b]pyridine;4-propan-2-ylfuro[3,2-c]pyridazine;tris(7-propan-2-ylfuro[2,3-c]pyridine);7-propan-2-ylfuro[3,2-c]pyridine;7-propan-2-ylfuro[2,3-d]pyridazine;4-propan-2-ylfuro[3,2-d]pyrimidine;2-propan-2-yl-[1,3]oxazolo[4,5-b]pyrazine;6-propan-2-yl-[1,3]oxazolo[5,4-c]pyridazine;4-propan-2-yl-[1,3]oxazolo[5,4-c]pyridine;7-propan-2-yl-[1,2]oxazolo[5,4-c]pyridine;bis(2-propan-2-yl-[1,3]oxazolo[5,4-d]pyrimidine) has a molecular weight of 3074.73 g/mol, XLogP of 48.81, 19 rotatable bonds, 0 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for bis(7-propan-2-yl-1-benzofuran);7-propan-2-yl-1,2,3-benzoxadiazole;7-propan-2-yl-1,2-benzoxazole;7-propan-2-yl-1,3-benzoxazole;7-propan-2-ylfuro[3,2-b]pyridine;4-propan-2-ylfuro[3,2-c]pyridazine;tris(7-propan-2-ylfuro[2,3-c]pyridine);7-propan-2-ylfuro[3,2-c]pyridine;7-propan-2-ylfuro[2,3-d]pyridazine;4-propan-2-ylfuro[3,2-d]pyrimidine;2-propan-2-yl-[1,3]oxazolo[4,5-b]pyrazine;6-propan-2-yl-[1,3]oxazolo[5,4-c]pyridazine;4-propan-2-yl-[1,3]oxazolo[5,4-c]pyridine;7-propan-2-yl-[1,2]oxazolo[5,4-c]pyridine;bis(2-propan-2-yl-[1,3]oxazolo[5,4-d]pyrimidine) is sourced from PubChem (CID 159017572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).