2-phenyl-6-[3-[6-pyridin-4-yl-4-(4-pyridin-4-ylphenyl)-2-pyridinyl]phenyl]-[1,3]oxazolo[4,5-c]carbazole;2-phenyl-6-[2-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]-[1,3]oxazolo[4,5-c]carbazole;2-phenyl-6-[4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]-[1,3]oxazolo[4,5-c]carbazole

C123H76N18O3 — CID 158473994

IUPAC2-phenyl-6-[3-[6-pyridin-4-yl-4-(4-pyridin-4-ylphenyl)-2-pyridinyl]phenyl]-[1,3]oxazolo[4,5-c]carbazole;2-phenyl-6-[2-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]-[1,3]oxazolo[4,5-c]carbazole;2-phenyl-6-[4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]-[1,3]oxazolo[4,5-c]carbazole
SMILESc1ccc(-c2nc3ccc4c(c5ccccc5n4-c4cc(-c5ccc(-c6ccncc6)cc5)nc(-c5ccncc5)n4)c3o2)cc1.c1ccc(-c2nc3ccc4c(c5ccccc5n4-c4cccc(-c5cc(-c6ccc(-c7ccncc7)cc6)cc(-c6ccncc6)n5)c4)c3o2)cc1.c1ccc(-c2nc3ccc4c(c5ccccc5n4-c4nc(-c5ccncc5)nc(-c5ccc(-c6ccncc6)cc5)n4)c3o2)cc1
InChIInChI=1S/C46H29N5O.C39H24N6O.C38H23N7O/c1-2-7-34(8-3-1)46-50-39-17-18-43-44(45(39)52-46)38-11-4-5-12-42(38)51(43)37-10-6-9-35(27-37)41-29-36(28-40(49-41)33-21-25-48-26-22-33)31-15-13-30(14-16-31)32-19-23-47-24-20-32;1-2-6-29(7-3-1)39-43-31-14-15-34-36(37(31)46-39)30-8-4-5-9-33(30)45(34)35-24-32(42-38(44-35)28-18-22-41-23-19-28)27-12-10-25(11-13-27)26-16-20-40-21-17-26;1-2-6-28(7-3-1)37-41-30-14-15-32-33(34(30)46-37)29-8-4-5-9-31(29)45(32)38-43-35(42-36(44-38)27-18-22-40-23-19-27)26-12-10-24(11-13-26)25-16-20-39-21-17-25/h1-29H;1-24H;1-23H
InChIKeyHGRYEDFIHWTJLR-UHFFFAOYSA-N
MW1854.08 g/mol
LogP29.19
Rot. Bonds16

About 2-phenyl-6-[3-[6-pyridin-4-yl-4-(4-pyridin-4-ylphenyl)-2-pyridinyl]phenyl]-[1,3]oxazolo[4,5-c]carbazole;2-phenyl-6-[2-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]-[1,3]oxazolo[4,5-c]carbazole;2-phenyl-6-[4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]-[1,3]oxazolo[4,5-c]carbazole

2-phenyl-6-[3-[6-pyridin-4-yl-4-(4-pyridin-4-ylphenyl)-2-pyridinyl]phenyl]-[1,3]oxazolo[4,5-c]carbazole;2-phenyl-6-[2-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]-[1,3]oxazolo[4,5-c]carbazole;2-phenyl-6-[4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]-[1,3]oxazolo[4,5-c]carbazole (PubChem CID 158473994) has the molecular formula C123H76N18O3 and a molecular weight of 1854.08 g/mol. Its IUPAC name is 2-phenyl-6-[3-[6-pyridin-4-yl-4-(4-pyridin-4-ylphenyl)-2-pyridinyl]phenyl]-[1,3]oxazolo[4,5-c]carbazole;2-phenyl-6-[2-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]-[1,3]oxazolo[4,5-c]carbazole;2-phenyl-6-[4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]-[1,3]oxazolo[4,5-c]carbazole.

Molecular Properties

Compound Name2-phenyl-6-[3-[6-pyridin-4-yl-4-(4-pyridin-4-ylphenyl)-2-pyridinyl]phenyl]-[1,3]oxazolo[4,5-c]carbazole;2-phenyl-6-[2-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]-[1,3]oxazolo[4,5-c]carbazole;2-phenyl-6-[4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]-[1,3]oxazolo[4,5-c]carbazole
PubChem CID158473994
Molecular FormulaC123H76N18O3
Molecular Weight1854.08 g/mol
Exact Mass1852.63
IUPAC Name2-phenyl-6-[3-[6-pyridin-4-yl-4-(4-pyridin-4-ylphenyl)-2-pyridinyl]phenyl]-[1,3]oxazolo[4,5-c]carbazole;2-phenyl-6-[2-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]-[1,3]oxazolo[4,5-c]carbazole;2-phenyl-6-[4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]-[1,3]oxazolo[4,5-c]carbazole
SMILESc1ccc(-c2nc3ccc4c(c5ccccc5n4-c4cc(-c5ccc(-c6ccncc6)cc5)nc(-c5ccncc5)n4)c3o2)cc1.c1ccc(-c2nc3ccc4c(c5ccccc5n4-c4cccc(-c5cc(-c6ccc(-c7ccncc7)cc6)cc(-c6ccncc6)n5)c4)c3o2)cc1.c1ccc(-c2nc3ccc4c(c5ccccc5n4-c4nc(-c5ccncc5)nc(-c5ccc(-c6ccncc6)cc5)n4)c3o2)cc1
InChIInChI=1S/C46H29N5O.C39H24N6O.C38H23N7O/c1-2-7-34(8-3-1)46-50-39-17-18-43-44(45(39)52-46)38-11-4-5-12-42(38)51(43)37-10-6-9-35(27-37)41-29-36(28-40(49-41)33-21-25-48-26-22-33)31-15-13-30(14-16-31)32-19-23-47-24-20-32;1-2-6-29(7-3-1)39-43-31-14-15-34-36(37(31)46-39)30-8-4-5-9-33(30)45(34)35-24-32(42-38(44-35)28-18-22-41-23-19-28)27-12-10-25(11-13-27)26-16-20-40-21-17-26;1-2-6-28(7-3-1)37-41-30-14-15-32-33(34(30)46-37)29-8-4-5-9-31(29)45(32)38-43-35(42-36(44-38)27-18-22-40-23-19-27)26-12-10-24(11-13-26)25-16-20-39-21-17-25/h1-29H;1-24H;1-23H
InChIKeyHGRYEDFIHWTJLR-UHFFFAOYSA-N
XLogP29.19
TPSA247.56 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds16
Heavy Atoms144
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001854.08
LogP ≤ 529.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze 2-phenyl-6-[3-[6-pyridin-4-yl-4-(4-pyridin-4-ylphenyl)-2-pyridinyl]phenyl]-[1,3]oxazolo[4,5-c]carbazole;2-phenyl-6-[2-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]-[1,3]oxazolo[4,5-c]carbazole;2-phenyl-6-[4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]-[1,3]oxazolo[4,5-c]carbazole with MolForge

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Related Compounds

4-[4-[8-[4-[2-[4-[3-(6-Fluoro-[1]benzofuro[2,3-c]pyridin-1-yl)phenyl]-6-pyridin-2-yl-[1]benzofuro[3,2-b]pyridin-8-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 142336487
4-(1-fluoroindol-4-yl)-6-morpholin-4-yl-12-[[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]methyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 155571079
12-[3-([1]Benzofuro[2,3-a]carbazol-12-yl)-4-(3,5-difluorophenyl)-2-methylphenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-4-(3,5-difluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;9-[4-(2,6-difluorophenyl)-2-methyl-3-(3-methylcarbazol-9-yl)phenyl]-2-methylcarbazole;9-[4-(3,5-difluorophenyl)-3-(2-pyrazin-2-ylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]-2-pyrimidin-2-ylcarbazole
CID 157608574
4,5-Bis([1]benzofuro[2,3-a]carbazol-12-yl)-2-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;4,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-2-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;9-[4-isocyano-5-[2-methyl-6-(trifluoromethyl)phenyl]-2-(2-pyrimidin-2-ylcarbazol-9-yl)phenyl]-2-pyrimidin-2-ylcarbazole
CID 157838223
4,5-Bis([1]benzofuro[2,3-a]carbazol-12-yl)-2-[2-(trifluoromethyl)phenyl]benzonitrile;4,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-2-[2-(trifluoromethyl)phenyl]benzonitrile;4,5-bis[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-(trifluoromethyl)phenyl]benzonitrile;4,5-bis(3-pyrimidin-2-ylcarbazol-9-yl)-2-[2-(trifluoromethyl)phenyl]benzonitrile;9-[2-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-4-isocyano-5-[2-(trifluoromethyl)phenyl]phenyl]-2,7-di(pyrimidin-2-yl)carbazole;9-[4-isocyano-2-(2-pyrimidin-2-ylcarbazol-9-yl)-5-[2-(trifluoromethyl)phenyl]phenyl]-2-pyrimidin-2-ylcarbazole
CID 157879294
12-[(4,4-difluoropiperidin-1-yl)methyl]-4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-[(4-fluoropiperidin-1-yl)methyl]-4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-6,12-dimorpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-11-methyl-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 158180516
12-[3-([1]Benzofuro[2,3-a]carbazol-12-yl)-2-isocyano-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole;2,6-bis([1]benzofuro[3,2-a]carbazol-12-yl)-3-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;3-[2-methyl-6-(trifluoromethyl)phenyl]-2,6-bis(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile
CID 158351719
12-[(4,4-difluoropiperidin-1-yl)methyl]-4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-[(4-fluoropiperidin-1-yl)methyl]-4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-12-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-11-methyl-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 158885713
9,23-Bis[3-methyl-5-(trifluoromethyl)phenyl]-7,9,21,23-tetrazaoctacyclo[13.13.2.02,10.03,8.012,29.016,24.017,22.026,30]triaconta-1(29),2(10),3(8),4,6,11,13,15(30),16(24),17(22),18,20,25,27-tetradecaene;9,23-di(dibenzofuran-3-yl)-7,9,21,23-tetrazaoctacyclo[13.13.2.02,10.03,8.012,29.016,24.017,22.026,30]triaconta-1(29),2(10),3(8),4,6,11,13,15(30),16(24),17(22),18,20,25,27-tetradecaene
CID 159322276
N-[5-[[4-(8,8-difluoro-7,9-dihydro-6H-pyrido[1,2-a]indol-10-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]indol-10-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(3-oxo-1,2-dihydropyrrolo[1,2-a]indol-4-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide
CID 159445068
12-[3-([1]Benzofuro[3,2-a]carbazol-12-yl)-4-(2,3,4,5,6-pentafluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;methane;9-[4-(2,3,4,5,6-pentafluorophenyl)-3-(2-pyrimidin-2-ylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]-2-pyrimidin-2-ylcarbazole
CID 159761729
3-[4,5-Bis([1]benzofuro[2,3-a]carbazol-12-yl)-2-(trifluoromethyl)phenyl]benzonitrile;3-[4,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-2-(trifluoromethyl)phenyl]benzonitrile;3-[4,5-bis[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-2-isocyanophenyl]benzonitrile;3-[4,5-bis[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-2-methylphenyl]benzonitrile;9-[4-(3-isocyanophenyl)-5-methyl-2-(2-pyrimidin-2-ylcarbazol-9-yl)phenyl]-2-pyrimidin-2-ylcarbazole;9-[4-(3-isocyanophenyl)-2-(3-pyrimidin-2-ylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-3-pyrimidin-2-ylcarbazole
CID 159788476

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-6-[3-[6-pyridin-4-yl-4-(4-pyridin-4-ylphenyl)-2-pyridinyl]phenyl]-[1,3]oxazolo[4,5-c]carbazole;2-phenyl-6-[2-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]-[1,3]oxazolo[4,5-c]carbazole;2-phenyl-6-[4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]-[1,3]oxazolo[4,5-c]carbazole?
The IUPAC name of 2-phenyl-6-[3-[6-pyridin-4-yl-4-(4-pyridin-4-ylphenyl)-2-pyridinyl]phenyl]-[1,3]oxazolo[4,5-c]carbazole;2-phenyl-6-[2-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]-[1,3]oxazolo[4,5-c]carbazole;2-phenyl-6-[4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]-[1,3]oxazolo[4,5-c]carbazole (CID 158473994) is 2-phenyl-6-[3-[6-pyridin-4-yl-4-(4-pyridin-4-ylphenyl)-2-pyridinyl]phenyl]-[1,3]oxazolo[4,5-c]carbazole;2-phenyl-6-[2-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]-[1,3]oxazolo[4,5-c]carbazole;2-phenyl-6-[4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]-[1,3]oxazolo[4,5-c]carbazole.
What is the SMILES notation for 2-phenyl-6-[3-[6-pyridin-4-yl-4-(4-pyridin-4-ylphenyl)-2-pyridinyl]phenyl]-[1,3]oxazolo[4,5-c]carbazole;2-phenyl-6-[2-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]-[1,3]oxazolo[4,5-c]carbazole;2-phenyl-6-[4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]-[1,3]oxazolo[4,5-c]carbazole?
The canonical SMILES for 2-phenyl-6-[3-[6-pyridin-4-yl-4-(4-pyridin-4-ylphenyl)-2-pyridinyl]phenyl]-[1,3]oxazolo[4,5-c]carbazole;2-phenyl-6-[2-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]-[1,3]oxazolo[4,5-c]carbazole;2-phenyl-6-[4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]-[1,3]oxazolo[4,5-c]carbazole is c1ccc(-c2nc3ccc4c(c5ccccc5n4-c4cc(-c5ccc(-c6ccncc6)cc5)nc(-c5ccncc5)n4)c3o2)cc1.c1ccc(-c2nc3ccc4c(c5ccccc5n4-c4cccc(-c5cc(-c6ccc(-c7ccncc7)cc6)cc(-c6ccncc6)n5)c4)c3o2)cc1.c1ccc(-c2nc3ccc4c(c5ccccc5n4-c4nc(-c5ccncc5)nc(-c5ccc(-c6ccncc6)cc5)n4)c3o2)cc1.
What is the InChIKey of 2-phenyl-6-[3-[6-pyridin-4-yl-4-(4-pyridin-4-ylphenyl)-2-pyridinyl]phenyl]-[1,3]oxazolo[4,5-c]carbazole;2-phenyl-6-[2-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]-[1,3]oxazolo[4,5-c]carbazole;2-phenyl-6-[4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]-[1,3]oxazolo[4,5-c]carbazole?
The InChIKey is HGRYEDFIHWTJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29N5O.C39H24N6O.C38H23N7O/c1-2-7-34(8-3-1)46-50-39-17-18-43-44(45(39)52-46)38-11-4-5-12-42(38)51(43)37-10-6-9-35(27-37)41-29-36(28-40(49-41)33-21-25-48-26-22-33)31-15-13-30(14-16-31)32-19-23-47-24-20-32;1-2-6-29(7-3-1)39-43-31-14-15-34-36(37(31)46-39)30-8-4-5-9-33(30)45(34)35-24-32(42-38(44-35)28-18-22-41-23-19-28)27-12-10-25(11-13-27)26-16-20-40-21-17-26;1-2-6-28(7-3-1)37-41-30-14-15-32-33(34(30)46-37)29-8-4-5-9-31(29)45(32)38-43-35(42-36(44-38)27-18-22-40-23-19-27)26-12-10-24(11-13-26)25-16-20-39-21-17-25/h1-29H;1-24H;1-23H.
What are the key properties of 2-phenyl-6-[3-[6-pyridin-4-yl-4-(4-pyridin-4-ylphenyl)-2-pyridinyl]phenyl]-[1,3]oxazolo[4,5-c]carbazole;2-phenyl-6-[2-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]-[1,3]oxazolo[4,5-c]carbazole;2-phenyl-6-[4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]-[1,3]oxazolo[4,5-c]carbazole?
2-phenyl-6-[3-[6-pyridin-4-yl-4-(4-pyridin-4-ylphenyl)-2-pyridinyl]phenyl]-[1,3]oxazolo[4,5-c]carbazole;2-phenyl-6-[2-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]-[1,3]oxazolo[4,5-c]carbazole;2-phenyl-6-[4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]-[1,3]oxazolo[4,5-c]carbazole has a molecular weight of 1854.08 g/mol, XLogP of 29.19, 16 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-6-[3-[6-pyridin-4-yl-4-(4-pyridin-4-ylphenyl)-2-pyridinyl]phenyl]-[1,3]oxazolo[4,5-c]carbazole;2-phenyl-6-[2-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]-[1,3]oxazolo[4,5-c]carbazole;2-phenyl-6-[4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]-[1,3]oxazolo[4,5-c]carbazole is sourced from PubChem (CID 158473994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).