5-phenyl-3-(3-phenylphenyl)-1,2,4-oxadiazole

C20H14N2O — CID 130289064

IUPAC5-phenyl-3-(3-phenylphenyl)-1,2,4-oxadiazole
SMILESc1ccc(-c2cccc(-c3noc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C20H14N2O/c1-3-8-15(9-4-1)17-12-7-13-18(14-17)19-21-20(23-22-19)16-10-5-2-6-11-16/h1-14H
InChIKeyMWXKKVWLNCKIDA-UHFFFAOYSA-N
MW298.35 g/mol
LogP5.07
Rot. Bonds3

About 5-phenyl-3-(3-phenylphenyl)-1,2,4-oxadiazole

5-phenyl-3-(3-phenylphenyl)-1,2,4-oxadiazole (PubChem CID 130289064) has the molecular formula C20H14N2O and a molecular weight of 298.35 g/mol. Its IUPAC name is 5-phenyl-3-(3-phenylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-phenyl-3-(3-phenylphenyl)-1,2,4-oxadiazole
PubChem CID130289064
Molecular FormulaC20H14N2O
Molecular Weight298.35 g/mol
Exact Mass298.11
IUPAC Name5-phenyl-3-(3-phenylphenyl)-1,2,4-oxadiazole
SMILESc1ccc(-c2cccc(-c3noc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C20H14N2O/c1-3-8-15(9-4-1)17-12-7-13-18(14-17)19-21-20(23-22-19)16-10-5-2-6-11-16/h1-14H
InChIKeyMWXKKVWLNCKIDA-UHFFFAOYSA-N
XLogP5.07
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.35
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-(3-phenylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-phenyl-3-(3-phenylphenyl)-1,2,4-oxadiazole (CID 130289064) is 5-phenyl-3-(3-phenylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-phenyl-3-(3-phenylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-phenyl-3-(3-phenylphenyl)-1,2,4-oxadiazole is c1ccc(-c2cccc(-c3noc(-c4ccccc4)n3)c2)cc1.
What is the InChIKey of 5-phenyl-3-(3-phenylphenyl)-1,2,4-oxadiazole?
The InChIKey is MWXKKVWLNCKIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O/c1-3-8-15(9-4-1)17-12-7-13-18(14-17)19-21-20(23-22-19)16-10-5-2-6-11-16/h1-14H.
What are the key properties of 5-phenyl-3-(3-phenylphenyl)-1,2,4-oxadiazole?
5-phenyl-3-(3-phenylphenyl)-1,2,4-oxadiazole has a molecular weight of 298.35 g/mol, XLogP of 5.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-(3-phenylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 130289064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).