3-(4-chlorophenyl)-4,5-diphenyl-5H-1,2,4-oxadiazole

C20H15ClN2O — CID 12674730

IUPAC3-(4-chlorophenyl)-4,5-diphenyl-5H-1,2,4-oxadiazole
SMILESClc1ccc(C2=NOC(c3ccccc3)N2c2ccccc2)cc1
InChIInChI=1S/C20H15ClN2O/c21-17-13-11-15(12-14-17)19-22-24-20(16-7-3-1-4-8-16)23(19)18-9-5-2-6-10-18/h1-14,20H
InChIKeyQYSJAKYBEZNJGF-UHFFFAOYSA-N
MW334.81 g/mol
LogP5.24
Rot. Bonds3

About 3-(4-chlorophenyl)-4,5-diphenyl-5H-1,2,4-oxadiazole

3-(4-chlorophenyl)-4,5-diphenyl-5H-1,2,4-oxadiazole (PubChem CID 12674730) has the molecular formula C20H15ClN2O and a molecular weight of 334.81 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4,5-diphenyl-5H-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4,5-diphenyl-5H-1,2,4-oxadiazole
PubChem CID12674730
Molecular FormulaC20H15ClN2O
Molecular Weight334.81 g/mol
Exact Mass334.09
IUPAC Name3-(4-chlorophenyl)-4,5-diphenyl-5H-1,2,4-oxadiazole
SMILESClc1ccc(C2=NOC(c3ccccc3)N2c2ccccc2)cc1
InChIInChI=1S/C20H15ClN2O/c21-17-13-11-15(12-14-17)19-22-24-20(16-7-3-1-4-8-16)23(19)18-9-5-2-6-10-18/h1-14,20H
InChIKeyQYSJAKYBEZNJGF-UHFFFAOYSA-N
XLogP5.24
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.81
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-4,5-diphenyl-5H-1,2,4-oxadiazole?
The IUPAC name of 3-(4-chlorophenyl)-4,5-diphenyl-5H-1,2,4-oxadiazole (CID 12674730) is 3-(4-chlorophenyl)-4,5-diphenyl-5H-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-chlorophenyl)-4,5-diphenyl-5H-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-chlorophenyl)-4,5-diphenyl-5H-1,2,4-oxadiazole is Clc1ccc(C2=NOC(c3ccccc3)N2c2ccccc2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-4,5-diphenyl-5H-1,2,4-oxadiazole?
The InChIKey is QYSJAKYBEZNJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2O/c21-17-13-11-15(12-14-17)19-22-24-20(16-7-3-1-4-8-16)23(19)18-9-5-2-6-10-18/h1-14,20H.
What are the key properties of 3-(4-chlorophenyl)-4,5-diphenyl-5H-1,2,4-oxadiazole?
3-(4-chlorophenyl)-4,5-diphenyl-5H-1,2,4-oxadiazole has a molecular weight of 334.81 g/mol, XLogP of 5.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-4,5-diphenyl-5H-1,2,4-oxadiazole is sourced from PubChem (CID 12674730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).