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

C51H39N9O6 — CID 155811920

IUPAC2-pyridin-4-yl-5-[2-[[2,4,6-trimethyl-3,5-bis[[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-1,3,4-oxadiazole
SMILESCc1c(COc2ccccc2-c2nnc(-c3ccncc3)o2)c(C)c(COc2ccccc2-c2nnc(-c3ccncc3)o2)c(C)c1COc1ccccc1-c1nnc(-c2ccncc2)o1
InChIInChI=1S/C51H39N9O6/c1-31-40(28-61-43-13-7-4-10-37(43)49-58-55-46(64-49)34-16-22-52-23-17-34)32(2)42(30-63-45-15-9-6-12-39(45)51-60-57-48(66-51)36-20-26-54-27-21-36)33(3)41(31)29-62-44-14-8-5-11-38(44)50-59-56-47(65-50)35-18-24-53-25-19-35/h4-27H,28-30H2,1-3H3
InChIKeyBNWGPDNMNYNCOV-UHFFFAOYSA-N
MW873.93 g/mol
LogP10.68
Rot. Bonds15

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

2-pyridin-4-yl-5-[2-[[2,4,6-trimethyl-3,5-bis[[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-1,3,4-oxadiazole (PubChem CID 155811920) has the molecular formula C51H39N9O6 and a molecular weight of 873.93 g/mol. Its IUPAC name is 2-pyridin-4-yl-5-[2-[[2,4,6-trimethyl-3,5-bis[[2-(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-[2-[[2,4,6-trimethyl-3,5-bis[[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-1,3,4-oxadiazole
PubChem CID155811920
Molecular FormulaC51H39N9O6
Molecular Weight873.93 g/mol
Exact Mass873.30
IUPAC Name2-pyridin-4-yl-5-[2-[[2,4,6-trimethyl-3,5-bis[[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-1,3,4-oxadiazole
SMILESCc1c(COc2ccccc2-c2nnc(-c3ccncc3)o2)c(C)c(COc2ccccc2-c2nnc(-c3ccncc3)o2)c(C)c1COc1ccccc1-c1nnc(-c2ccncc2)o1
InChIInChI=1S/C51H39N9O6/c1-31-40(28-61-43-13-7-4-10-37(43)49-58-55-46(64-49)34-16-22-52-23-17-34)32(2)42(30-63-45-15-9-6-12-39(45)51-60-57-48(66-51)36-20-26-54-27-21-36)33(3)41(31)29-62-44-14-8-5-11-38(44)50-59-56-47(65-50)35-18-24-53-25-19-35/h4-27H,28-30H2,1-3H3
InChIKeyBNWGPDNMNYNCOV-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-[2-[[2,4,6-trimethyl-3,5-bis[[2-(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

Related Compounds

2-(2-methylpyrimidin-5-yl)-5-pyridin-4-yl-1,3,4-oxadiazole
CID 99962892
4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenol
CID 137228616
2,5-bis(2-prop-2-enoxyphenyl)-1,3,4-oxadiazole
CID 10404642
4-(2-ethoxyphenyl)pyridine
CID 23466193
2-(3-methylphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole
CID 872987
N-benzyl-2-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 20939884
N-(3-methylbutyl)-2-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 20943758
[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]methanethiol
CID 82159229
N-[(2-ethoxyphenyl)methyl]-2-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 20943792
2-(4-octoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole
CID 139201252
2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenol;zinc
CID 158215980
2-(2-fluorophenyl)-5-(2-methylpyrimidin-5-yl)-1,3,4-oxadiazole
CID 99962720

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-yl-5-[2-[[2,4,6-trimethyl-3,5-bis[[2-(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-[2-[[2,4,6-trimethyl-3,5-bis[[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-1,3,4-oxadiazole (CID 155811920) is 2-pyridin-4-yl-5-[2-[[2,4,6-trimethyl-3,5-bis[[2-(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-[2-[[2,4,6-trimethyl-3,5-bis[[2-(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-[2-[[2,4,6-trimethyl-3,5-bis[[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-1,3,4-oxadiazole is Cc1c(COc2ccccc2-c2nnc(-c3ccncc3)o2)c(C)c(COc2ccccc2-c2nnc(-c3ccncc3)o2)c(C)c1COc1ccccc1-c1nnc(-c2ccncc2)o1.
What is the InChIKey of 2-pyridin-4-yl-5-[2-[[2,4,6-trimethyl-3,5-bis[[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-1,3,4-oxadiazole?
The InChIKey is BNWGPDNMNYNCOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H39N9O6/c1-31-40(28-61-43-13-7-4-10-37(43)49-58-55-46(64-49)34-16-22-52-23-17-34)32(2)42(30-63-45-15-9-6-12-39(45)51-60-57-48(66-51)36-20-26-54-27-21-36)33(3)41(31)29-62-44-14-8-5-11-38(44)50-59-56-47(65-50)35-18-24-53-25-19-35/h4-27H,28-30H2,1-3H3.
What are the key properties of 2-pyridin-4-yl-5-[2-[[2,4,6-trimethyl-3,5-bis[[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-1,3,4-oxadiazole?
2-pyridin-4-yl-5-[2-[[2,4,6-trimethyl-3,5-bis[[2-(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-[2-[[2,4,6-trimethyl-3,5-bis[[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 155811920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).