2-[2-[4-fluoro-3-[5-[3-[4-fluoro-3-[5-[3-(4-fluorophenyl)-7-(1,3-oxazol-2-yl)quinoxalin-2-yl]thiophen-2-yl]phenyl]-7-(4-methyl-1,3-oxazol-2-yl)quinoxalin-2-yl]thiophen-2-yl]phenyl]-3-thiophen-2-ylquinoxalin-6-yl]-4,5-dimethyl-1,3-oxazole

C66H38F3N9O3S3 — CID 163372228

IUPAC2-[2-[4-fluoro-3-[5-[3-[4-fluoro-3-[5-[3-(4-fluorophenyl)-7-(1,3-oxazol-2-yl)quinoxalin-2-yl]thiophen-2-yl]phenyl]-7-(4-methyl-1,3-oxazol-2-yl)quinoxalin-2-yl]thiophen-2-yl]phenyl]-3-thiophen-2-ylquinoxalin-6-yl]-4,5-dimethyl-1,3-oxazole
SMILESCc1coc(-c2ccc3nc(-c4ccc(F)c(-c5ccc(-c6nc7cc(-c8ncco8)ccc7nc6-c6ccc(F)cc6)s5)c4)c(-c4ccc(-c5cc(-c6nc7ccc(-c8nc(C)c(C)o8)cc7nc6-c6cccs6)ccc5F)s4)nc3c2)n1
InChIInChI=1S/C66H38F3N9O3S3/c1-33-32-80-65(71-33)40-11-18-48-51(30-40)78-63(57-23-21-54(84-57)43-27-37(8-15-45(43)68)59-61(55-5-4-26-82-55)76-52-31-41(12-19-49(52)74-59)66-72-34(2)35(3)81-66)60(75-48)38-9-16-46(69)44(28-38)53-20-22-56(83-53)62-58(36-6-13-42(67)14-7-36)73-47-17-10-39(29-50(47)77-62)64-70-24-25-79-64/h4-32H,1-3H3
InChIKeyNIZBRNJQBSLLCB-UHFFFAOYSA-N
MW1158.28 g/mol
LogP18.34
Rot. Bonds11

About 2-[2-[4-fluoro-3-[5-[3-[4-fluoro-3-[5-[3-(4-fluorophenyl)-7-(1,3-oxazol-2-yl)quinoxalin-2-yl]thiophen-2-yl]phenyl]-7-(4-methyl-1,3-oxazol-2-yl)quinoxalin-2-yl]thiophen-2-yl]phenyl]-3-thiophen-2-ylquinoxalin-6-yl]-4,5-dimethyl-1,3-oxazole

2-[2-[4-fluoro-3-[5-[3-[4-fluoro-3-[5-[3-(4-fluorophenyl)-7-(1,3-oxazol-2-yl)quinoxalin-2-yl]thiophen-2-yl]phenyl]-7-(4-methyl-1,3-oxazol-2-yl)quinoxalin-2-yl]thiophen-2-yl]phenyl]-3-thiophen-2-ylquinoxalin-6-yl]-4,5-dimethyl-1,3-oxazole (PubChem CID 163372228) has the molecular formula C66H38F3N9O3S3 and a molecular weight of 1158.28 g/mol. Its IUPAC name is 2-[2-[4-fluoro-3-[5-[3-[4-fluoro-3-[5-[3-(4-fluorophenyl)-7-(1,3-oxazol-2-yl)quinoxalin-2-yl]thiophen-2-yl]phenyl]-7-(4-methyl-1,3-oxazol-2-yl)quinoxalin-2-yl]thiophen-2-yl]phenyl]-3-thiophen-2-ylquinoxalin-6-yl]-4,5-dimethyl-1,3-oxazole.

Molecular Properties

Compound Name2-[2-[4-fluoro-3-[5-[3-[4-fluoro-3-[5-[3-(4-fluorophenyl)-7-(1,3-oxazol-2-yl)quinoxalin-2-yl]thiophen-2-yl]phenyl]-7-(4-methyl-1,3-oxazol-2-yl)quinoxalin-2-yl]thiophen-2-yl]phenyl]-3-thiophen-2-ylquinoxalin-6-yl]-4,5-dimethyl-1,3-oxazole
PubChem CID163372228
Molecular FormulaC66H38F3N9O3S3
Molecular Weight1158.28 g/mol
Exact Mass1157.22
IUPAC Name2-[2-[4-fluoro-3-[5-[3-[4-fluoro-3-[5-[3-(4-fluorophenyl)-7-(1,3-oxazol-2-yl)quinoxalin-2-yl]thiophen-2-yl]phenyl]-7-(4-methyl-1,3-oxazol-2-yl)quinoxalin-2-yl]thiophen-2-yl]phenyl]-3-thiophen-2-ylquinoxalin-6-yl]-4,5-dimethyl-1,3-oxazole
SMILESCc1coc(-c2ccc3nc(-c4ccc(F)c(-c5ccc(-c6nc7cc(-c8ncco8)ccc7nc6-c6ccc(F)cc6)s5)c4)c(-c4ccc(-c5cc(-c6nc7ccc(-c8nc(C)c(C)o8)cc7nc6-c6cccs6)ccc5F)s4)nc3c2)n1
InChIInChI=1S/C66H38F3N9O3S3/c1-33-32-80-65(71-33)40-11-18-48-51(30-40)78-63(57-23-21-54(84-57)43-27-37(8-15-45(43)68)59-61(55-5-4-26-82-55)76-52-31-41(12-19-49(52)74-59)66-72-34(2)35(3)81-66)60(75-48)38-9-16-46(69)44(28-38)53-20-22-56(83-53)62-58(36-6-13-42(67)14-7-36)73-47-17-10-39(29-50(47)77-62)64-70-24-25-79-64/h4-32H,1-3H3
InChIKeyNIZBRNJQBSLLCB-UHFFFAOYSA-N
XLogP18.34
TPSA155.43 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds11
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001158.28
LogP ≤ 518.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 2-[2-[4-fluoro-3-[5-[3-[4-fluoro-3-[5-[3-(4-fluorophenyl)-7-(1,3-oxazol-2-yl)quinoxalin-2-yl]thiophen-2-yl]phenyl]-7-(4-methyl-1,3-oxazol-2-yl)quinoxalin-2-yl]thiophen-2-yl]phenyl]-3-thiophen-2-ylquinoxalin-6-yl]-4,5-dimethyl-1,3-oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-fluoro-3-[5-[3-[4-fluoro-3-[5-[3-(4-fluorophenyl)-7-(1,3-oxazol-2-yl)quinoxalin-2-yl]thiophen-2-yl]phenyl]-7-(4-methyl-1,3-oxazol-2-yl)quinoxalin-2-yl]thiophen-2-yl]phenyl]-3-thiophen-2-ylquinoxalin-6-yl]-4,5-dimethyl-1,3-oxazole?
The IUPAC name of 2-[2-[4-fluoro-3-[5-[3-[4-fluoro-3-[5-[3-(4-fluorophenyl)-7-(1,3-oxazol-2-yl)quinoxalin-2-yl]thiophen-2-yl]phenyl]-7-(4-methyl-1,3-oxazol-2-yl)quinoxalin-2-yl]thiophen-2-yl]phenyl]-3-thiophen-2-ylquinoxalin-6-yl]-4,5-dimethyl-1,3-oxazole (CID 163372228) is 2-[2-[4-fluoro-3-[5-[3-[4-fluoro-3-[5-[3-(4-fluorophenyl)-7-(1,3-oxazol-2-yl)quinoxalin-2-yl]thiophen-2-yl]phenyl]-7-(4-methyl-1,3-oxazol-2-yl)quinoxalin-2-yl]thiophen-2-yl]phenyl]-3-thiophen-2-ylquinoxalin-6-yl]-4,5-dimethyl-1,3-oxazole.
What is the SMILES notation for 2-[2-[4-fluoro-3-[5-[3-[4-fluoro-3-[5-[3-(4-fluorophenyl)-7-(1,3-oxazol-2-yl)quinoxalin-2-yl]thiophen-2-yl]phenyl]-7-(4-methyl-1,3-oxazol-2-yl)quinoxalin-2-yl]thiophen-2-yl]phenyl]-3-thiophen-2-ylquinoxalin-6-yl]-4,5-dimethyl-1,3-oxazole?
The canonical SMILES for 2-[2-[4-fluoro-3-[5-[3-[4-fluoro-3-[5-[3-(4-fluorophenyl)-7-(1,3-oxazol-2-yl)quinoxalin-2-yl]thiophen-2-yl]phenyl]-7-(4-methyl-1,3-oxazol-2-yl)quinoxalin-2-yl]thiophen-2-yl]phenyl]-3-thiophen-2-ylquinoxalin-6-yl]-4,5-dimethyl-1,3-oxazole is Cc1coc(-c2ccc3nc(-c4ccc(F)c(-c5ccc(-c6nc7cc(-c8ncco8)ccc7nc6-c6ccc(F)cc6)s5)c4)c(-c4ccc(-c5cc(-c6nc7ccc(-c8nc(C)c(C)o8)cc7nc6-c6cccs6)ccc5F)s4)nc3c2)n1.
What is the InChIKey of 2-[2-[4-fluoro-3-[5-[3-[4-fluoro-3-[5-[3-(4-fluorophenyl)-7-(1,3-oxazol-2-yl)quinoxalin-2-yl]thiophen-2-yl]phenyl]-7-(4-methyl-1,3-oxazol-2-yl)quinoxalin-2-yl]thiophen-2-yl]phenyl]-3-thiophen-2-ylquinoxalin-6-yl]-4,5-dimethyl-1,3-oxazole?
The InChIKey is NIZBRNJQBSLLCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H38F3N9O3S3/c1-33-32-80-65(71-33)40-11-18-48-51(30-40)78-63(57-23-21-54(84-57)43-27-37(8-15-45(43)68)59-61(55-5-4-26-82-55)76-52-31-41(12-19-49(52)74-59)66-72-34(2)35(3)81-66)60(75-48)38-9-16-46(69)44(28-38)53-20-22-56(83-53)62-58(36-6-13-42(67)14-7-36)73-47-17-10-39(29-50(47)77-62)64-70-24-25-79-64/h4-32H,1-3H3.
What are the key properties of 2-[2-[4-fluoro-3-[5-[3-[4-fluoro-3-[5-[3-(4-fluorophenyl)-7-(1,3-oxazol-2-yl)quinoxalin-2-yl]thiophen-2-yl]phenyl]-7-(4-methyl-1,3-oxazol-2-yl)quinoxalin-2-yl]thiophen-2-yl]phenyl]-3-thiophen-2-ylquinoxalin-6-yl]-4,5-dimethyl-1,3-oxazole?
2-[2-[4-fluoro-3-[5-[3-[4-fluoro-3-[5-[3-(4-fluorophenyl)-7-(1,3-oxazol-2-yl)quinoxalin-2-yl]thiophen-2-yl]phenyl]-7-(4-methyl-1,3-oxazol-2-yl)quinoxalin-2-yl]thiophen-2-yl]phenyl]-3-thiophen-2-ylquinoxalin-6-yl]-4,5-dimethyl-1,3-oxazole has a molecular weight of 1158.28 g/mol, XLogP of 18.34, 11 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-fluoro-3-[5-[3-[4-fluoro-3-[5-[3-(4-fluorophenyl)-7-(1,3-oxazol-2-yl)quinoxalin-2-yl]thiophen-2-yl]phenyl]-7-(4-methyl-1,3-oxazol-2-yl)quinoxalin-2-yl]thiophen-2-yl]phenyl]-3-thiophen-2-ylquinoxalin-6-yl]-4,5-dimethyl-1,3-oxazole is sourced from PubChem (CID 163372228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).