2-phenyl-5-[4-(2-phenylethynyl)phenyl]-1,3,4-oxadiazole

C22H14N2O — CID 132584993

IUPAC2-phenyl-5-[4-(2-phenylethynyl)phenyl]-1,3,4-oxadiazole
SMILESC(#Cc1ccc(-c2nnc(-c3ccccc3)o2)cc1)c1ccccc1
InChIInChI=1S/C22H14N2O/c1-3-7-17(8-4-1)11-12-18-13-15-20(16-14-18)22-24-23-21(25-22)19-9-5-2-6-10-19/h1-10,13-16H
InChIKeyQEOFKILOFVSKCI-UHFFFAOYSA-N
MW322.37 g/mol
LogP4.80
Rot. Bonds2

About 2-phenyl-5-[4-(2-phenylethynyl)phenyl]-1,3,4-oxadiazole

2-phenyl-5-[4-(2-phenylethynyl)phenyl]-1,3,4-oxadiazole (PubChem CID 132584993) has the molecular formula C22H14N2O and a molecular weight of 322.37 g/mol. Its IUPAC name is 2-phenyl-5-[4-(2-phenylethynyl)phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-phenyl-5-[4-(2-phenylethynyl)phenyl]-1,3,4-oxadiazole
PubChem CID132584993
Molecular FormulaC22H14N2O
Molecular Weight322.37 g/mol
Exact Mass322.11
IUPAC Name2-phenyl-5-[4-(2-phenylethynyl)phenyl]-1,3,4-oxadiazole
SMILESC(#Cc1ccc(-c2nnc(-c3ccccc3)o2)cc1)c1ccccc1
InChIInChI=1S/C22H14N2O/c1-3-7-17(8-4-1)11-12-18-13-15-20(16-14-18)22-24-23-21(25-22)19-9-5-2-6-10-19/h1-10,13-16H
InChIKeyQEOFKILOFVSKCI-UHFFFAOYSA-N
XLogP4.80
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole
CID 144770943
2,5-bis[4-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]-1,3,4-oxadiazole
CID 101440187
1,4-bis[4-(2-phenylethynyl)phenyl]benzene
CID 3111099
2-(2-phenylethynyl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 45142353
bis(2,2-dimethylpropane);2,5-diphenyl-1,3,4-oxadiazole
CID 160836587
N,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]-1,3,4-oxadiazol-2-yl]aniline
CID 19808215
2-(4-ethenylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole
CID 59816346
CID 136857420
CID 136857420
1,3,5-tris[4-(2-phenylethynyl)phenyl]benzene
CID 15640933
1-phenyl-3-[2-(4-phenylphenyl)ethynyl]benzene
CID 59475328
1-N,1-N,2-N-triphenyl-2-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzene-1,2-diamine
CID 58903757
2-(4-phenylphenyl)-5-[4-[4-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]cyclohexa-1,3-dien-1-yl]phenyl]-1,3,4-oxadiazole
CID 71175422

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-[4-(2-phenylethynyl)phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-phenyl-5-[4-(2-phenylethynyl)phenyl]-1,3,4-oxadiazole (CID 132584993) is 2-phenyl-5-[4-(2-phenylethynyl)phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-phenyl-5-[4-(2-phenylethynyl)phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-phenyl-5-[4-(2-phenylethynyl)phenyl]-1,3,4-oxadiazole is C(#Cc1ccc(-c2nnc(-c3ccccc3)o2)cc1)c1ccccc1.
What is the InChIKey of 2-phenyl-5-[4-(2-phenylethynyl)phenyl]-1,3,4-oxadiazole?
The InChIKey is QEOFKILOFVSKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N2O/c1-3-7-17(8-4-1)11-12-18-13-15-20(16-14-18)22-24-23-21(25-22)19-9-5-2-6-10-19/h1-10,13-16H.
What are the key properties of 2-phenyl-5-[4-(2-phenylethynyl)phenyl]-1,3,4-oxadiazole?
2-phenyl-5-[4-(2-phenylethynyl)phenyl]-1,3,4-oxadiazole has a molecular weight of 322.37 g/mol, XLogP of 4.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-[4-(2-phenylethynyl)phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 132584993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).