3-[3-[5-[3,5-bis[3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-5-methyl-1,2,4-oxadiazole

C39H24N12O6 — CID 67475214

IUPAC3-[3-[5-[3,5-bis[3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-5-methyl-1,2,4-oxadiazole
SMILESCc1nc(-c2cccc(-c3noc(-c4cc(-c5nc(-c6cccc(-c7noc(C)n7)c6)no5)cc(-c5nc(-c6cccc(-c7noc(C)n7)c6)no5)c4)n3)c2)no1
InChIInChI=1S/C39H24N12O6/c1-19-40-31(46-52-19)22-7-4-10-25(13-22)34-43-37(55-49-34)28-16-29(38-44-35(50-56-38)26-11-5-8-23(14-26)32-41-20(2)53-47-32)18-30(17-28)39-45-36(51-57-39)27-12-6-9-24(15-27)33-42-21(3)54-48-33/h4-18H,1-3H3
InChIKeyBFAFHDAGJVTQHA-UHFFFAOYSA-N
MW756.70 g/mol
LogP7.91
Rot. Bonds9

About 3-[3-[5-[3,5-bis[3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-5-methyl-1,2,4-oxadiazole

3-[3-[5-[3,5-bis[3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-5-methyl-1,2,4-oxadiazole (PubChem CID 67475214) has the molecular formula C39H24N12O6 and a molecular weight of 756.70 g/mol. Its IUPAC name is 3-[3-[5-[3,5-bis[3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-5-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[3-[5-[3,5-bis[3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-5-methyl-1,2,4-oxadiazole
PubChem CID67475214
Molecular FormulaC39H24N12O6
Molecular Weight756.70 g/mol
Exact Mass756.19
IUPAC Name3-[3-[5-[3,5-bis[3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-5-methyl-1,2,4-oxadiazole
SMILESCc1nc(-c2cccc(-c3noc(-c4cc(-c5nc(-c6cccc(-c7noc(C)n7)c6)no5)cc(-c5nc(-c6cccc(-c7noc(C)n7)c6)no5)c4)n3)c2)no1
InChIInChI=1S/C39H24N12O6/c1-19-40-31(46-52-19)22-7-4-10-25(13-22)34-43-37(55-49-34)28-16-29(38-44-35(50-56-38)26-11-5-8-23(14-26)32-41-20(2)53-47-32)18-30(17-28)39-45-36(51-57-39)27-12-6-9-24(15-27)33-42-21(3)54-48-33/h4-18H,1-3H3
InChIKeyBFAFHDAGJVTQHA-UHFFFAOYSA-N
XLogP7.91
TPSA233.52 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds9
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500756.70
LogP ≤ 57.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 3-[3-[5-[3,5-bis[3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-5-methyl-1,2,4-oxadiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[5-[3,5-bis[3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-5-methyl-1,2,4-oxadiazole?
The IUPAC name of 3-[3-[5-[3,5-bis[3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-5-methyl-1,2,4-oxadiazole (CID 67475214) is 3-[3-[5-[3,5-bis[3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-5-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[3-[5-[3,5-bis[3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-5-methyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[3-[5-[3,5-bis[3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-5-methyl-1,2,4-oxadiazole is Cc1nc(-c2cccc(-c3noc(-c4cc(-c5nc(-c6cccc(-c7noc(C)n7)c6)no5)cc(-c5nc(-c6cccc(-c7noc(C)n7)c6)no5)c4)n3)c2)no1.
What is the InChIKey of 3-[3-[5-[3,5-bis[3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-5-methyl-1,2,4-oxadiazole?
The InChIKey is BFAFHDAGJVTQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H24N12O6/c1-19-40-31(46-52-19)22-7-4-10-25(13-22)34-43-37(55-49-34)28-16-29(38-44-35(50-56-38)26-11-5-8-23(14-26)32-41-20(2)53-47-32)18-30(17-28)39-45-36(51-57-39)27-12-6-9-24(15-27)33-42-21(3)54-48-33/h4-18H,1-3H3.
What are the key properties of 3-[3-[5-[3,5-bis[3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-5-methyl-1,2,4-oxadiazole?
3-[3-[5-[3,5-bis[3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-5-methyl-1,2,4-oxadiazole has a molecular weight of 756.70 g/mol, XLogP of 7.91, 9 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[5-[3,5-bis[3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-5-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 67475214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).