2-[4-[2-[4-(1,2-dihydro-[1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-4,5-bis[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine

C54H32N8O4 — CID 90720247

IUPAC2-[4-[2-[4-(1,2-dihydro-[1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-4,5-bis[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine
SMILESc1cnc2c(c1)NC(c1ccc(-c3cc(-c4ccc(-c5nc6cccnc6o5)cc4)c(-c4ccc(-c5nc6cccnc6o5)cc4)cc3-c3ccc(-c4nc5cccnc5o4)cc3)cc1)O2
InChIInChI=1S/C54H32N8O4/c1-5-43-51(55-25-1)63-47(59-43)35-17-9-31(10-18-35)39-29-41(33-13-21-37(22-14-33)49-61-45-7-3-27-57-53(45)65-49)42(34-15-23-38(24-16-34)50-62-46-8-4-28-58-54(46)66-50)30-40(39)32-11-19-36(20-12-32)48-60-44-6-2-26-56-52(44)64-48/h1-30,47,59H
InChIKeyFZFZMIOTLIWHLW-UHFFFAOYSA-N
MW856.90 g/mol
LogP12.86
Rot. Bonds8

About 2-[4-[2-[4-(1,2-dihydro-[1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-4,5-bis[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine

2-[4-[2-[4-(1,2-dihydro-[1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-4,5-bis[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine (PubChem CID 90720247) has the molecular formula C54H32N8O4 and a molecular weight of 856.90 g/mol. Its IUPAC name is 2-[4-[2-[4-(1,2-dihydro-[1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-4,5-bis[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name2-[4-[2-[4-(1,2-dihydro-[1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-4,5-bis[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine
PubChem CID90720247
Molecular FormulaC54H32N8O4
Molecular Weight856.90 g/mol
Exact Mass856.25
IUPAC Name2-[4-[2-[4-(1,2-dihydro-[1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-4,5-bis[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine
SMILESc1cnc2c(c1)NC(c1ccc(-c3cc(-c4ccc(-c5nc6cccnc6o5)cc4)c(-c4ccc(-c5nc6cccnc6o5)cc4)cc3-c3ccc(-c4nc5cccnc5o4)cc3)cc1)O2
InChIInChI=1S/C54H32N8O4/c1-5-43-51(55-25-1)63-47(59-43)35-17-9-31(10-18-35)39-29-41(33-13-21-37(22-14-33)49-61-45-7-3-27-57-53(45)65-49)42(34-15-23-38(24-16-34)50-62-46-8-4-28-58-54(46)66-50)30-40(39)32-11-19-36(20-12-32)48-60-44-6-2-26-56-52(44)64-48/h1-30,47,59H
InChIKeyFZFZMIOTLIWHLW-UHFFFAOYSA-N
XLogP12.86
TPSA150.91 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500856.90
LogP ≤ 512.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze 2-[4-[2-[4-(1,2-dihydro-[1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-4,5-bis[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine with MolForge

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Related Compounds

N-[5-[6-[[4-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]triazol-4-yl]phenyl]methoxy]-5-morpholin-4-ylpyridin-3-yl]-6-methylpyridin-3-yl]-3-(trifluoromethyl)benzamide
CID 154684248
N-[5-[6-[2-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethoxy]-5-morpholin-4-ylpyridin-3-yl]-6-methylpyridin-3-yl]-3-(trifluoromethyl)benzamide
CID 154684369
2-[3-[4-[2-[4-[3-(1,3-Benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-1,3-benzoxazole;2-[4-[2-[2-[2-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-1,3-benzoxazole;2-[4-[3-[2-[3-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-1,3-benzoxazole;2-[4-[4-[2-[4-[4-[5,6-bis(trifluoromethyl)-1,3-benzoxazol-2-yl]phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-5,6-bis(trifluoromethyl)-1,3-benzoxazole
CID 157737893
2-[4,6-Difluoro-2-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]-3-methyl-1,3-benzoxazol-3-ium;3-methyl-2-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]-1,3-benzoxazol-3-ium;3-methyl-2-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)-5-(trifluoromethyl)phenyl]-1,3-benzoxazol-3-ium;3-methyl-2-[2,4,6-trimethyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]-1,3-benzoxazol-3-ium
CID 160892993
8-[2-[2-[3,5-Bis[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]-2-(2-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)phenyl]phenyl]phenyl]phenyl]-5-[5-[4-[2-[3-[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]-2-(2-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)phenyl]phenyl]-5-[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]-2-(2-methyl-[1]benzofuro[2,3-c]pyridin-2-ium-8-yl)phenyl]phenyl]phenyl]phenyl]-3-(2-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)phenyl]pyrazin-2-yl]phenyl]-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 141692723
2-[2,3,4,5,6-Pentakis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine
CID 20606855
2-[2,4,5-Tris([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine
CID 20606857
2-[2-[3,5-Bis[2-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine
CID 23391269
2-[2-(1,2-Dihydro-[1,3]oxazolo[5,4-b]pyridin-2-yl)-4,5-bis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine
CID 23391273
2-[2-(1,3-Benzoxazol-2-yl)-3,4,5,6-tetrakis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine
CID 23391275
2-[3-[3,5-Bis[3,5-bis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]-5-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine
CID 23391281
2-[3,5-Bis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine
CID 23391296

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[4-(1,2-dihydro-[1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-4,5-bis[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine?
The IUPAC name of 2-[4-[2-[4-(1,2-dihydro-[1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-4,5-bis[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine (CID 90720247) is 2-[4-[2-[4-(1,2-dihydro-[1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-4,5-bis[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 2-[4-[2-[4-(1,2-dihydro-[1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-4,5-bis[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine?
The canonical SMILES for 2-[4-[2-[4-(1,2-dihydro-[1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-4,5-bis[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine is c1cnc2c(c1)NC(c1ccc(-c3cc(-c4ccc(-c5nc6cccnc6o5)cc4)c(-c4ccc(-c5nc6cccnc6o5)cc4)cc3-c3ccc(-c4nc5cccnc5o4)cc3)cc1)O2.
What is the InChIKey of 2-[4-[2-[4-(1,2-dihydro-[1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-4,5-bis[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine?
The InChIKey is FZFZMIOTLIWHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32N8O4/c1-5-43-51(55-25-1)63-47(59-43)35-17-9-31(10-18-35)39-29-41(33-13-21-37(22-14-33)49-61-45-7-3-27-57-53(45)65-49)42(34-15-23-38(24-16-34)50-62-46-8-4-28-58-54(46)66-50)30-40(39)32-11-19-36(20-12-32)48-60-44-6-2-26-56-52(44)64-48/h1-30,47,59H.
What are the key properties of 2-[4-[2-[4-(1,2-dihydro-[1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-4,5-bis[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine?
2-[4-[2-[4-(1,2-dihydro-[1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-4,5-bis[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine has a molecular weight of 856.90 g/mol, XLogP of 12.86, 8 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[4-(1,2-dihydro-[1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-4,5-bis[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 90720247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).