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

C33H24N6O6 — CID 638609

IUPAC2-[3,5-bis[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(-c3cc(-c4nnc(-c5ccc(OC)cc5)o4)cc(-c4nnc(-c5ccc(OC)cc5)o4)c3)o2)cc1
InChIInChI=1S/C33H24N6O6/c1-40-25-10-4-19(5-11-25)28-34-37-31(43-28)22-16-23(32-38-35-29(44-32)20-6-12-26(41-2)13-7-20)18-24(17-22)33-39-36-30(45-33)21-8-14-27(42-3)15-9-21/h4-18H,1-3H3
InChIKeyBFNCHBPIYJCRPO-UHFFFAOYSA-N
MW600.59 g/mol
LogP6.86
Rot. Bonds9

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

2-[3,5-bis[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole (PubChem CID 638609) has the molecular formula C33H24N6O6 and a molecular weight of 600.59 g/mol. Its IUPAC name is 2-[3,5-bis[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[3,5-bis[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
PubChem CID638609
Molecular FormulaC33H24N6O6
Molecular Weight600.59 g/mol
Exact Mass600.18
IUPAC Name2-[3,5-bis[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(-c3cc(-c4nnc(-c5ccc(OC)cc5)o4)cc(-c4nnc(-c5ccc(OC)cc5)o4)c3)o2)cc1
InChIInChI=1S/C33H24N6O6/c1-40-25-10-4-19(5-11-25)28-34-37-31(43-28)22-16-23(32-38-35-29(44-32)20-6-12-26(41-2)13-7-20)18-24(17-22)33-39-36-30(45-33)21-8-14-27(42-3)15-9-21/h4-18H,1-3H3
InChIKeyBFNCHBPIYJCRPO-UHFFFAOYSA-N
XLogP6.86
TPSA144.45 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500600.59
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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Related Compounds

2-(4-fluorophenyl)-5-[4-(4-methoxyphenyl)phenyl]-1,3,4-oxadiazole
CID 102032251
2-(4-methoxyphenyl)-5-[4-(4-methylsulfanylphenyl)phenyl]-1,3,4-oxadiazole
CID 102032244
[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl] acetate
CID 144750250
2-(4-anthracen-9-ylphenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 156612748
[4-[5-[3,5-bis[5-(4-acetyloxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl] acetate
CID 118041982
2-(6-methoxynaphthalen-2-yl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole
CID 11348131
[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanol
CID 3041371
2-(methoxymethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 67274190
2-(1H-indol-2-yl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 137308252
2-(2-fluorophenyl)-5-[4-(4-methoxyphenyl)phenyl]-1,3,4-oxadiazole
CID 863660
2-(2-chloroethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 43513285
2-(4-methylphenyl)-5-[4-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenoxy]phenyl]-1,3,4-oxadiazole
CID 20603457

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[3,5-bis[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole (CID 638609) is 2-[3,5-bis[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[3,5-bis[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[3,5-bis[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole is COc1ccc(-c2nnc(-c3cc(-c4nnc(-c5ccc(OC)cc5)o4)cc(-c4nnc(-c5ccc(OC)cc5)o4)c3)o2)cc1.
What is the InChIKey of 2-[3,5-bis[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole?
The InChIKey is BFNCHBPIYJCRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24N6O6/c1-40-25-10-4-19(5-11-25)28-34-37-31(43-28)22-16-23(32-38-35-29(44-32)20-6-12-26(41-2)13-7-20)18-24(17-22)33-39-36-30(45-33)21-8-14-27(42-3)15-9-21/h4-18H,1-3H3.
What are the key properties of 2-[3,5-bis[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole?
2-[3,5-bis[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole has a molecular weight of 600.59 g/mol, XLogP of 6.86, 9 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 638609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).