2-pyridin-4-yl-5-[4-[[2,4,6-trimethyl-3,5-bis[[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-1,3,4-oxadiazole

C51H39N9O6 — CID 155810244

IUPAC2-pyridin-4-yl-5-[4-[[2,4,6-trimethyl-3,5-bis[[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-1,3,4-oxadiazole
SMILESCc1c(COc2ccc(-c3nnc(-c4ccncc4)o3)cc2)c(C)c(COc2ccc(-c3nnc(-c4ccncc4)o3)cc2)c(C)c1COc1ccc(-c2nnc(-c3ccncc3)o2)cc1
InChIInChI=1S/C51H39N9O6/c1-31-43(28-61-40-10-4-34(5-11-40)46-55-58-49(64-46)37-16-22-52-23-17-37)32(2)45(30-63-42-14-8-36(9-15-42)48-57-60-51(66-48)39-20-26-54-27-21-39)33(3)44(31)29-62-41-12-6-35(7-13-41)47-56-59-50(65-47)38-18-24-53-25-19-38/h4-27H,28-30H2,1-3H3
InChIKeyPEFNNSRYOFVBKI-UHFFFAOYSA-N
MW873.93 g/mol
LogP10.68
Rot. Bonds15

About 2-pyridin-4-yl-5-[4-[[2,4,6-trimethyl-3,5-bis[[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-1,3,4-oxadiazole

2-pyridin-4-yl-5-[4-[[2,4,6-trimethyl-3,5-bis[[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-1,3,4-oxadiazole (PubChem CID 155810244) has the molecular formula C51H39N9O6 and a molecular weight of 873.93 g/mol. Its IUPAC name is 2-pyridin-4-yl-5-[4-[[2,4,6-trimethyl-3,5-bis[[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-pyridin-4-yl-5-[4-[[2,4,6-trimethyl-3,5-bis[[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-1,3,4-oxadiazole
PubChem CID155810244
Molecular FormulaC51H39N9O6
Molecular Weight873.93 g/mol
Exact Mass873.30
IUPAC Name2-pyridin-4-yl-5-[4-[[2,4,6-trimethyl-3,5-bis[[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-1,3,4-oxadiazole
SMILESCc1c(COc2ccc(-c3nnc(-c4ccncc4)o3)cc2)c(C)c(COc2ccc(-c3nnc(-c4ccncc4)o3)cc2)c(C)c1COc1ccc(-c2nnc(-c3ccncc3)o2)cc1
InChIInChI=1S/C51H39N9O6/c1-31-43(28-61-40-10-4-34(5-11-40)46-55-58-49(64-46)37-16-22-52-23-17-37)32(2)45(30-63-42-14-8-36(9-15-42)48-57-60-51(66-48)39-20-26-54-27-21-39)33(3)44(31)29-62-41-12-6-35(7-13-41)47-56-59-50(65-47)38-18-24-53-25-19-38/h4-27H,28-30H2,1-3H3
InChIKeyPEFNNSRYOFVBKI-UHFFFAOYSA-N
XLogP10.68
TPSA183.12 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds15
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500873.93
LogP ≤ 510.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 2-pyridin-4-yl-5-[4-[[2,4,6-trimethyl-3,5-bis[[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-yl-5-[4-[[2,4,6-trimethyl-3,5-bis[[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-pyridin-4-yl-5-[4-[[2,4,6-trimethyl-3,5-bis[[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-1,3,4-oxadiazole (CID 155810244) is 2-pyridin-4-yl-5-[4-[[2,4,6-trimethyl-3,5-bis[[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-pyridin-4-yl-5-[4-[[2,4,6-trimethyl-3,5-bis[[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-pyridin-4-yl-5-[4-[[2,4,6-trimethyl-3,5-bis[[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-1,3,4-oxadiazole is Cc1c(COc2ccc(-c3nnc(-c4ccncc4)o3)cc2)c(C)c(COc2ccc(-c3nnc(-c4ccncc4)o3)cc2)c(C)c1COc1ccc(-c2nnc(-c3ccncc3)o2)cc1.
What is the InChIKey of 2-pyridin-4-yl-5-[4-[[2,4,6-trimethyl-3,5-bis[[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-1,3,4-oxadiazole?
The InChIKey is PEFNNSRYOFVBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H39N9O6/c1-31-43(28-61-40-10-4-34(5-11-40)46-55-58-49(64-46)37-16-22-52-23-17-37)32(2)45(30-63-42-14-8-36(9-15-42)48-57-60-51(66-48)39-20-26-54-27-21-39)33(3)44(31)29-62-41-12-6-35(7-13-41)47-56-59-50(65-47)38-18-24-53-25-19-38/h4-27H,28-30H2,1-3H3.
What are the key properties of 2-pyridin-4-yl-5-[4-[[2,4,6-trimethyl-3,5-bis[[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-1,3,4-oxadiazole?
2-pyridin-4-yl-5-[4-[[2,4,6-trimethyl-3,5-bis[[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-1,3,4-oxadiazole has a molecular weight of 873.93 g/mol, XLogP of 10.68, 15 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-yl-5-[4-[[2,4,6-trimethyl-3,5-bis[[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 155810244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).