5-phenyl-4-[4-(5-phenyloxadiazol-4-yl)phenyl]oxadiazole

C22H14N4O2 — CID 22023103

IUPAC5-phenyl-4-[4-(5-phenyloxadiazol-4-yl)phenyl]oxadiazole
SMILESc1ccc(-c2onnc2-c2ccc(-c3nnoc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C22H14N4O2/c1-3-7-17(8-4-1)21-19(23-25-27-21)15-11-13-16(14-12-15)20-22(28-26-24-20)18-9-5-2-6-10-18/h1-14H
InChIKeyMWIBJAAKZAELRG-UHFFFAOYSA-N
MW366.38 g/mol
LogP5.12
Rot. Bonds4

About 5-phenyl-4-[4-(5-phenyloxadiazol-4-yl)phenyl]oxadiazole

5-phenyl-4-[4-(5-phenyloxadiazol-4-yl)phenyl]oxadiazole (PubChem CID 22023103) has the molecular formula C22H14N4O2 and a molecular weight of 366.38 g/mol. Its IUPAC name is 5-phenyl-4-[4-(5-phenyloxadiazol-4-yl)phenyl]oxadiazole.

Molecular Properties

Compound Name5-phenyl-4-[4-(5-phenyloxadiazol-4-yl)phenyl]oxadiazole
PubChem CID22023103
Molecular FormulaC22H14N4O2
Molecular Weight366.38 g/mol
Exact Mass366.11
IUPAC Name5-phenyl-4-[4-(5-phenyloxadiazol-4-yl)phenyl]oxadiazole
SMILESc1ccc(-c2onnc2-c2ccc(-c3nnoc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C22H14N4O2/c1-3-7-17(8-4-1)21-19(23-25-27-21)15-11-13-16(14-12-15)20-22(28-26-24-20)18-9-5-2-6-10-18/h1-14H
InChIKeyMWIBJAAKZAELRG-UHFFFAOYSA-N
XLogP5.12
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.38
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-4-[4-(5-phenyloxadiazol-4-yl)phenyl]oxadiazole?
The IUPAC name of 5-phenyl-4-[4-(5-phenyloxadiazol-4-yl)phenyl]oxadiazole (CID 22023103) is 5-phenyl-4-[4-(5-phenyloxadiazol-4-yl)phenyl]oxadiazole.
What is the SMILES notation for 5-phenyl-4-[4-(5-phenyloxadiazol-4-yl)phenyl]oxadiazole?
The canonical SMILES for 5-phenyl-4-[4-(5-phenyloxadiazol-4-yl)phenyl]oxadiazole is c1ccc(-c2onnc2-c2ccc(-c3nnoc3-c3ccccc3)cc2)cc1.
What is the InChIKey of 5-phenyl-4-[4-(5-phenyloxadiazol-4-yl)phenyl]oxadiazole?
The InChIKey is MWIBJAAKZAELRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N4O2/c1-3-7-17(8-4-1)21-19(23-25-27-21)15-11-13-16(14-12-15)20-22(28-26-24-20)18-9-5-2-6-10-18/h1-14H.
What are the key properties of 5-phenyl-4-[4-(5-phenyloxadiazol-4-yl)phenyl]oxadiazole?
5-phenyl-4-[4-(5-phenyloxadiazol-4-yl)phenyl]oxadiazole has a molecular weight of 366.38 g/mol, XLogP of 5.12, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-4-[4-(5-phenyloxadiazol-4-yl)phenyl]oxadiazole is sourced from PubChem (CID 22023103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).