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

C22H14N4O2 — CID 1050397

IUPAC2-phenyl-5-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(-c3cccc(-c4nnc(-c5ccccc5)o4)c3)o2)cc1
InChIInChI=1S/C22H14N4O2/c1-3-8-15(9-4-1)19-23-25-21(27-19)17-12-7-13-18(14-17)22-26-24-20(28-22)16-10-5-2-6-11-16/h1-14H
InChIKeyBAQYTZSLSKPKEK-UHFFFAOYSA-N
MW366.38 g/mol
LogP5.12
Rot. Bonds4

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

2-phenyl-5-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole (PubChem CID 1050397) has the molecular formula C22H14N4O2 and a molecular weight of 366.38 g/mol. Its IUPAC name is 2-phenyl-5-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-phenyl-5-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole
PubChem CID1050397
Molecular FormulaC22H14N4O2
Molecular Weight366.38 g/mol
Exact Mass366.11
IUPAC Name2-phenyl-5-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(-c3cccc(-c4nnc(-c5ccccc5)o4)c3)o2)cc1
InChIInChI=1S/C22H14N4O2/c1-3-8-15(9-4-1)19-23-25-21(27-19)17-12-7-13-18(14-17)22-26-24-20(28-22)16-10-5-2-6-11-16/h1-14H
InChIKeyBAQYTZSLSKPKEK-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 2-phenyl-5-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-phenyl-5-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole (CID 1050397) is 2-phenyl-5-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-phenyl-5-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-phenyl-5-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole is c1ccc(-c2nnc(-c3cccc(-c4nnc(-c5ccccc5)o4)c3)o2)cc1.
What is the InChIKey of 2-phenyl-5-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole?
The InChIKey is BAQYTZSLSKPKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N4O2/c1-3-8-15(9-4-1)19-23-25-21(27-19)17-12-7-13-18(14-17)22-26-24-20(28-22)16-10-5-2-6-11-16/h1-14H.
What are the key properties of 2-phenyl-5-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole?
2-phenyl-5-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-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 2-phenyl-5-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 1050397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).