2-(4-anthracen-9-ylphenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole

C29H20N2O2 — CID 156612748

IUPAC2-(4-anthracen-9-ylphenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(-c3ccc(-c4c5ccccc5cc5ccccc45)cc3)o2)cc1
InChIInChI=1S/C29H20N2O2/c1-32-24-16-14-21(15-17-24)29-31-30-28(33-29)20-12-10-19(11-13-20)27-25-8-4-2-6-22(25)18-23-7-3-5-9-26(23)27/h2-18H,1H3
InChIKeyMJHUFDJHJMXKKZ-UHFFFAOYSA-N
MW428.49 g/mol
LogP7.39
Rot. Bonds4

About 2-(4-anthracen-9-ylphenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole

2-(4-anthracen-9-ylphenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole (PubChem CID 156612748) has the molecular formula C29H20N2O2 and a molecular weight of 428.49 g/mol. Its IUPAC name is 2-(4-anthracen-9-ylphenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-anthracen-9-ylphenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
PubChem CID156612748
Molecular FormulaC29H20N2O2
Molecular Weight428.49 g/mol
Exact Mass428.15
IUPAC Name2-(4-anthracen-9-ylphenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(-c3ccc(-c4c5ccccc5cc5ccccc45)cc3)o2)cc1
InChIInChI=1S/C29H20N2O2/c1-32-24-16-14-21(15-17-24)29-31-30-28(33-29)20-12-10-19(11-13-20)27-25-8-4-2-6-22(25)18-23-7-3-5-9-26(23)27/h2-18H,1H3
InChIKeyMJHUFDJHJMXKKZ-UHFFFAOYSA-N
XLogP7.39
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.49
LogP ≤ 57.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-[3,5-bis[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 638609
2-[6-methoxy-5-[2-methoxy-6-(5-phenyl-1,3,4-oxadiazol-2-yl)naphthalen-1-yl]naphthalen-2-yl]-5-phenyl-1,3,4-oxadiazole
CID 59815296
2-(1H-indol-2-yl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 137308252
2-(4-methoxyphenyl)-5-(2-phenyl-1H-indol-3-yl)-1,3,4-oxadiazole
CID 136746093
2-(4-fluorophenyl)-5-[4-(4-methoxyphenyl)phenyl]-1,3,4-oxadiazole
CID 102032251
2-(2-fluorophenyl)-5-[4-(4-methoxyphenyl)phenyl]-1,3,4-oxadiazole
CID 863660
2-(6-methoxynaphthalen-2-yl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole
CID 11348131
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-(3-methyl-10-phenylanthracen-9-yl)phenyl]-5-phenyl-1,3,4-oxadiazole
CID 59501428
2-(4-methoxyphenyl)-5-[2-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 71563552
2-phenyl-5-(10-phenylanthracen-9-yl)-1,3,4-oxadiazole
CID 146763008

Frequently Asked Questions

What is the IUPAC name of 2-(4-anthracen-9-ylphenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(4-anthracen-9-ylphenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole (CID 156612748) is 2-(4-anthracen-9-ylphenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-anthracen-9-ylphenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-anthracen-9-ylphenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole is COc1ccc(-c2nnc(-c3ccc(-c4c5ccccc5cc5ccccc45)cc3)o2)cc1.
What is the InChIKey of 2-(4-anthracen-9-ylphenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole?
The InChIKey is MJHUFDJHJMXKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20N2O2/c1-32-24-16-14-21(15-17-24)29-31-30-28(33-29)20-12-10-19(11-13-20)27-25-8-4-2-6-22(25)18-23-7-3-5-9-26(23)27/h2-18H,1H3.
What are the key properties of 2-(4-anthracen-9-ylphenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole?
2-(4-anthracen-9-ylphenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole has a molecular weight of 428.49 g/mol, XLogP of 7.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-anthracen-9-ylphenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 156612748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).