2-(4-methylphenyl)-5-[4-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenoxy]phenyl]-1,3,4-oxadiazole

C30H22N4O3 — CID 20603457

IUPAC2-(4-methylphenyl)-5-[4-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenoxy]phenyl]-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnc(-c3ccc(Oc4ccc(-c5nnc(-c6ccc(C)cc6)o5)cc4)cc3)o2)cc1
InChIInChI=1S/C30H22N4O3/c1-19-3-7-21(8-4-19)27-31-33-29(36-27)23-11-15-25(16-12-23)35-26-17-13-24(14-18-26)30-34-32-28(37-30)22-9-5-20(2)6-10-22/h3-18H,1-2H3
InChIKeyRNDPLRICRSXQHU-UHFFFAOYSA-N
MW486.53 g/mol
LogP7.53
Rot. Bonds6

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

2-(4-methylphenyl)-5-[4-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenoxy]phenyl]-1,3,4-oxadiazole (PubChem CID 20603457) has the molecular formula C30H22N4O3 and a molecular weight of 486.53 g/mol. Its IUPAC name is 2-(4-methylphenyl)-5-[4-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenoxy]phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-methylphenyl)-5-[4-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenoxy]phenyl]-1,3,4-oxadiazole
PubChem CID20603457
Molecular FormulaC30H22N4O3
Molecular Weight486.53 g/mol
Exact Mass486.17
IUPAC Name2-(4-methylphenyl)-5-[4-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenoxy]phenyl]-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnc(-c3ccc(Oc4ccc(-c5nnc(-c6ccc(C)cc6)o5)cc4)cc3)o2)cc1
InChIInChI=1S/C30H22N4O3/c1-19-3-7-21(8-4-19)27-31-33-29(36-27)23-11-15-25(16-12-23)35-26-17-13-24(14-18-26)30-34-32-28(37-30)22-9-5-20(2)6-10-22/h3-18H,1-2H3
InChIKeyRNDPLRICRSXQHU-UHFFFAOYSA-N
XLogP7.53
TPSA87.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.53
LogP ≤ 57.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenol
CID 135985215
2-(4-methyl-3-nitrophenyl)-5-[4-[4-[5-(4-methyl-3-nitrophenyl)-1,3,4-oxadiazol-2-yl]phenoxy]phenyl]-1,3,4-oxadiazole
CID 3603078
1-methyl-4-(4-methylphenoxy)benzene;dihydrofluoride
CID 174481204
2-[3,5-bis[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 638609
2-(4-cyclohexa-1,5-dien-1-ylphenyl)-5-[4-[4-[5-(4-cyclohexa-1,5-dien-1-ylphenyl)-1,3,4-oxadiazol-2-yl]phenoxy]phenyl]-1,3,4-oxadiazole
CID 155471707
2-(4-fluorophenyl)-5-[4-(4-methoxyphenyl)phenyl]-1,3,4-oxadiazole
CID 102032251
N-(2,4-dimethylphenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 122395303
ethane;2-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole
CID 144770943
[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-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenol;zinc
CID 158215980
2-[3-heptoxy-5-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 101405011
3-[4-[5-[4-[3-(methylamino)phenoxy]phenyl]-1,3,4-oxadiazol-2-yl]phenoxy]aniline
CID 123635103

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-5-[4-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenoxy]phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(4-methylphenyl)-5-[4-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenoxy]phenyl]-1,3,4-oxadiazole (CID 20603457) is 2-(4-methylphenyl)-5-[4-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenoxy]phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-methylphenyl)-5-[4-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenoxy]phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-methylphenyl)-5-[4-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenoxy]phenyl]-1,3,4-oxadiazole is Cc1ccc(-c2nnc(-c3ccc(Oc4ccc(-c5nnc(-c6ccc(C)cc6)o5)cc4)cc3)o2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-5-[4-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenoxy]phenyl]-1,3,4-oxadiazole?
The InChIKey is RNDPLRICRSXQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22N4O3/c1-19-3-7-21(8-4-19)27-31-33-29(36-27)23-11-15-25(16-12-23)35-26-17-13-24(14-18-26)30-34-32-28(37-30)22-9-5-20(2)6-10-22/h3-18H,1-2H3.
What are the key properties of 2-(4-methylphenyl)-5-[4-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenoxy]phenyl]-1,3,4-oxadiazole?
2-(4-methylphenyl)-5-[4-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenoxy]phenyl]-1,3,4-oxadiazole has a molecular weight of 486.53 g/mol, XLogP of 7.53, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-5-[4-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenoxy]phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 20603457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).