3-[5-(1-benzofuran-2-yl)-4-(furan-2-yl)-3-(1H-imidazol-2-yl)-1-quinolin-2-yl-2-quinoxalin-2-yl-6-(1,3-thiazol-2-yl)cyclohexa-2,4-dien-1-yl]-1,2-oxazole

C44H27N7O3S — CID 141069268

IUPAC3-[5-(1-benzofuran-2-yl)-4-(furan-2-yl)-3-(1H-imidazol-2-yl)-1-quinolin-2-yl-2-quinoxalin-2-yl-6-(1,3-thiazol-2-yl)cyclohexa-2,4-dien-1-yl]-1,2-oxazole
SMILESc1coc(C2=C(c3cc4ccccc4o3)C(c3nccs3)C(c3ccon3)(c3ccc4ccccc4n3)C(c3cnc4ccccc4n3)=C2c2ncc[nH]2)c1
InChIInChI=1S/C44H27N7O3S/c1-3-10-28-26(8-1)15-16-35(50-28)44(36-17-22-53-51-36)40(31-25-48-29-11-4-5-12-30(29)49-31)39(42-45-18-19-46-42)37(33-14-7-21-52-33)38(41(44)43-47-20-23-55-43)34-24-27-9-2-6-13-32(27)54-34/h1-25,41H,(H,45,46)
InChIKeyHDLGGYDCMNYJJH-UHFFFAOYSA-N
MW733.81 g/mol
LogP9.99
Rot. Bonds7

About 3-[5-(1-benzofuran-2-yl)-4-(furan-2-yl)-3-(1H-imidazol-2-yl)-1-quinolin-2-yl-2-quinoxalin-2-yl-6-(1,3-thiazol-2-yl)cyclohexa-2,4-dien-1-yl]-1,2-oxazole

3-[5-(1-benzofuran-2-yl)-4-(furan-2-yl)-3-(1H-imidazol-2-yl)-1-quinolin-2-yl-2-quinoxalin-2-yl-6-(1,3-thiazol-2-yl)cyclohexa-2,4-dien-1-yl]-1,2-oxazole (PubChem CID 141069268) has the molecular formula C44H27N7O3S and a molecular weight of 733.81 g/mol. Its IUPAC name is 3-[5-(1-benzofuran-2-yl)-4-(furan-2-yl)-3-(1H-imidazol-2-yl)-1-quinolin-2-yl-2-quinoxalin-2-yl-6-(1,3-thiazol-2-yl)cyclohexa-2,4-dien-1-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-[5-(1-benzofuran-2-yl)-4-(furan-2-yl)-3-(1H-imidazol-2-yl)-1-quinolin-2-yl-2-quinoxalin-2-yl-6-(1,3-thiazol-2-yl)cyclohexa-2,4-dien-1-yl]-1,2-oxazole
PubChem CID141069268
Molecular FormulaC44H27N7O3S
Molecular Weight733.81 g/mol
Exact Mass733.19
IUPAC Name3-[5-(1-benzofuran-2-yl)-4-(furan-2-yl)-3-(1H-imidazol-2-yl)-1-quinolin-2-yl-2-quinoxalin-2-yl-6-(1,3-thiazol-2-yl)cyclohexa-2,4-dien-1-yl]-1,2-oxazole
SMILESc1coc(C2=C(c3cc4ccccc4o3)C(c3nccs3)C(c3ccon3)(c3ccc4ccccc4n3)C(c3cnc4ccccc4n3)=C2c2ncc[nH]2)c1
InChIInChI=1S/C44H27N7O3S/c1-3-10-28-26(8-1)15-16-35(50-28)44(36-17-22-53-51-36)40(31-25-48-29-11-4-5-12-30(29)49-31)39(42-45-18-19-46-42)37(33-14-7-21-52-33)38(41(44)43-47-20-23-55-43)34-24-27-9-2-6-13-32(27)54-34/h1-25,41H,(H,45,46)
InChIKeyHDLGGYDCMNYJJH-UHFFFAOYSA-N
XLogP9.99
TPSA132.55 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500733.81
LogP ≤ 59.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 3-[5-(1-benzofuran-2-yl)-4-(furan-2-yl)-3-(1H-imidazol-2-yl)-1-quinolin-2-yl-2-quinoxalin-2-yl-6-(1,3-thiazol-2-yl)cyclohexa-2,4-dien-1-yl]-1,2-oxazole with MolForge

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Related Compounds

bis(6-tert-butyl-1H-benzimidazole);1-tert-butylcyclopenta-1,3-diene;tris(2-tert-butylcyclopenta-1,3-diene);4-tert-butyl-1,1-difluorocyclohexane;bis(2-tert-butylfuran);3-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;2-tert-butylnaphthalene;3-tert-butyl-1,2-oxazole;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;6-tert-butylquinoline;2-tert-butylthiophene;2-methylpropane;piperidine
CID 161428508
N-[[2-(3H-benzimidazol-5-yl)-1,3-thiazol-5-yl]methyl]-N-[3-(1H-imidazol-2-yl)-2-phenyl-1-benzofuran-6-yl]methanesulfonamide
CID 57414589
N-[3-(1H-imidazol-2-yl)-2-phenyl-1-benzofuran-6-yl]-N-[[2-(3-methylbenzimidazol-5-yl)-1,3-thiazol-5-yl]methyl]methanesulfonamide
CID 57415215
N-[3-(1H-imidazol-2-yl)-2-phenyl-1-benzofuran-6-yl]-N-[[2-(1-methylindol-5-yl)-1,3-thiazol-5-yl]methyl]methanesulfonamide
CID 89955176
N-[3-(1H-imidazol-2-yl)-2-phenyl-1-benzofuran-6-yl]-N-[[2-(1H-indol-5-yl)-1,3-thiazol-5-yl]methyl]methanesulfonamide
CID 89955294
2-[5-(1,3-benzothiazol-2-yl)-3-(1,2-benzoxazol-3-yl)-6-(1H-imidazol-2-yl)-1-quinolin-2-ylisoquinolin-4-yl]-1,3-benzoxazole
CID 141050975
2-[6-(1-benzofuran-2-yl)-5-(1-benzothiophen-2-yl)-2-pyrazin-2-yl-4-pyridin-2-yl-3-pyrimidin-2-yl-5-(1H-pyrrol-2-yl)cyclohexa-1,3-dien-1-yl]-1H-indole
CID 141050990
3-[5-(1H-benzimidazol-2-yl)-1-(1-benzofuran-2-yl)-3-(1,2-oxazol-3-yl)-2-(1,3-thiazol-2-yl)triazol-4-yl]-1,2-benzoxazole
CID 141059892
2-[5-(1H-benzimidazol-2-yl)-7-(furan-2-yl)-6-(1H-imidazol-2-yl)-1-pyridin-2-yl-4-pyrimidin-2-yl-3-thiophen-2-ylindol-2-yl]quinoline
CID 141084873
2-[2-(furan-2-yl)-3-(1H-imidazol-2-yl)-3-pyridin-2-yl-1-thiophen-2-ylpiperidin-2-yl]quinoline
CID 141099357
3-(1-benzofuran-2-yl)-5-(9H-carbazol-1-yl)-4-(1H-imidazol-2-yl)-2-naphthalen-1-ylsulfanyl-3-(1,3-thiazol-2-yl)-1,2-oxazole
CID 141194503
2-[5-(1-benzofuran-2-yl)-6-(1-benzothiophen-2-yl)-6-(1H-imidazol-2-yl)-2-(1H-indol-2-yl)-3,4-bis(1H-pyrrol-2-yl)cyclohexa-1,3-dien-1-yl]-1,3-thiazole
CID 141303197

Frequently Asked Questions

What is the IUPAC name of 3-[5-(1-benzofuran-2-yl)-4-(furan-2-yl)-3-(1H-imidazol-2-yl)-1-quinolin-2-yl-2-quinoxalin-2-yl-6-(1,3-thiazol-2-yl)cyclohexa-2,4-dien-1-yl]-1,2-oxazole?
The IUPAC name of 3-[5-(1-benzofuran-2-yl)-4-(furan-2-yl)-3-(1H-imidazol-2-yl)-1-quinolin-2-yl-2-quinoxalin-2-yl-6-(1,3-thiazol-2-yl)cyclohexa-2,4-dien-1-yl]-1,2-oxazole (CID 141069268) is 3-[5-(1-benzofuran-2-yl)-4-(furan-2-yl)-3-(1H-imidazol-2-yl)-1-quinolin-2-yl-2-quinoxalin-2-yl-6-(1,3-thiazol-2-yl)cyclohexa-2,4-dien-1-yl]-1,2-oxazole.
What is the SMILES notation for 3-[5-(1-benzofuran-2-yl)-4-(furan-2-yl)-3-(1H-imidazol-2-yl)-1-quinolin-2-yl-2-quinoxalin-2-yl-6-(1,3-thiazol-2-yl)cyclohexa-2,4-dien-1-yl]-1,2-oxazole?
The canonical SMILES for 3-[5-(1-benzofuran-2-yl)-4-(furan-2-yl)-3-(1H-imidazol-2-yl)-1-quinolin-2-yl-2-quinoxalin-2-yl-6-(1,3-thiazol-2-yl)cyclohexa-2,4-dien-1-yl]-1,2-oxazole is c1coc(C2=C(c3cc4ccccc4o3)C(c3nccs3)C(c3ccon3)(c3ccc4ccccc4n3)C(c3cnc4ccccc4n3)=C2c2ncc[nH]2)c1.
What is the InChIKey of 3-[5-(1-benzofuran-2-yl)-4-(furan-2-yl)-3-(1H-imidazol-2-yl)-1-quinolin-2-yl-2-quinoxalin-2-yl-6-(1,3-thiazol-2-yl)cyclohexa-2,4-dien-1-yl]-1,2-oxazole?
The InChIKey is HDLGGYDCMNYJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27N7O3S/c1-3-10-28-26(8-1)15-16-35(50-28)44(36-17-22-53-51-36)40(31-25-48-29-11-4-5-12-30(29)49-31)39(42-45-18-19-46-42)37(33-14-7-21-52-33)38(41(44)43-47-20-23-55-43)34-24-27-9-2-6-13-32(27)54-34/h1-25,41H,(H,45,46).
What are the key properties of 3-[5-(1-benzofuran-2-yl)-4-(furan-2-yl)-3-(1H-imidazol-2-yl)-1-quinolin-2-yl-2-quinoxalin-2-yl-6-(1,3-thiazol-2-yl)cyclohexa-2,4-dien-1-yl]-1,2-oxazole?
3-[5-(1-benzofuran-2-yl)-4-(furan-2-yl)-3-(1H-imidazol-2-yl)-1-quinolin-2-yl-2-quinoxalin-2-yl-6-(1,3-thiazol-2-yl)cyclohexa-2,4-dien-1-yl]-1,2-oxazole has a molecular weight of 733.81 g/mol, XLogP of 9.99, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(1-benzofuran-2-yl)-4-(furan-2-yl)-3-(1H-imidazol-2-yl)-1-quinolin-2-yl-2-quinoxalin-2-yl-6-(1,3-thiazol-2-yl)cyclohexa-2,4-dien-1-yl]-1,2-oxazole is sourced from PubChem (CID 141069268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).