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

C20H14Cl2N2O — CID 71816441

IUPAC3,5-bis(4-chlorophenyl)-4-phenyl-5H-1,2,4-oxadiazole
SMILESClc1ccc(C2=NOC(c3ccc(Cl)cc3)N2c2ccccc2)cc1
InChIInChI=1S/C20H14Cl2N2O/c21-16-10-6-14(7-11-16)19-23-25-20(15-8-12-17(22)13-9-15)24(19)18-4-2-1-3-5-18/h1-13,20H
InChIKeyITEYZGVPFOPHIE-UHFFFAOYSA-N
MW369.25 g/mol
LogP5.89
Rot. Bonds3

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

3,5-bis(4-chlorophenyl)-4-phenyl-5H-1,2,4-oxadiazole (PubChem CID 71816441) has the molecular formula C20H14Cl2N2O and a molecular weight of 369.25 g/mol. Its IUPAC name is 3,5-bis(4-chlorophenyl)-4-phenyl-5H-1,2,4-oxadiazole.

Molecular Properties

Compound Name3,5-bis(4-chlorophenyl)-4-phenyl-5H-1,2,4-oxadiazole
PubChem CID71816441
Molecular FormulaC20H14Cl2N2O
Molecular Weight369.25 g/mol
Exact Mass368.05
IUPAC Name3,5-bis(4-chlorophenyl)-4-phenyl-5H-1,2,4-oxadiazole
SMILESClc1ccc(C2=NOC(c3ccc(Cl)cc3)N2c2ccccc2)cc1
InChIInChI=1S/C20H14Cl2N2O/c21-16-10-6-14(7-11-16)19-23-25-20(15-8-12-17(22)13-9-15)24(19)18-4-2-1-3-5-18/h1-13,20H
InChIKeyITEYZGVPFOPHIE-UHFFFAOYSA-N
XLogP5.89
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.25
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-bis(4-chlorophenyl)-4-phenyl-5H-1,2,4-oxadiazole?
The IUPAC name of 3,5-bis(4-chlorophenyl)-4-phenyl-5H-1,2,4-oxadiazole (CID 71816441) is 3,5-bis(4-chlorophenyl)-4-phenyl-5H-1,2,4-oxadiazole.
What is the SMILES notation for 3,5-bis(4-chlorophenyl)-4-phenyl-5H-1,2,4-oxadiazole?
The canonical SMILES for 3,5-bis(4-chlorophenyl)-4-phenyl-5H-1,2,4-oxadiazole is Clc1ccc(C2=NOC(c3ccc(Cl)cc3)N2c2ccccc2)cc1.
What is the InChIKey of 3,5-bis(4-chlorophenyl)-4-phenyl-5H-1,2,4-oxadiazole?
The InChIKey is ITEYZGVPFOPHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2N2O/c21-16-10-6-14(7-11-16)19-23-25-20(15-8-12-17(22)13-9-15)24(19)18-4-2-1-3-5-18/h1-13,20H.
What are the key properties of 3,5-bis(4-chlorophenyl)-4-phenyl-5H-1,2,4-oxadiazole?
3,5-bis(4-chlorophenyl)-4-phenyl-5H-1,2,4-oxadiazole has a molecular weight of 369.25 g/mol, XLogP of 5.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(4-chlorophenyl)-4-phenyl-5H-1,2,4-oxadiazole is sourced from PubChem (CID 71816441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).