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

C14H9ClN2O — CID 884660

IUPAC2-(2-chlorophenyl)-5-phenyl-1,3,4-oxadiazole
SMILESClc1ccccc1-c1nnc(-c2ccccc2)o1
InChIInChI=1S/C14H9ClN2O/c15-12-9-5-4-8-11(12)14-17-16-13(18-14)10-6-2-1-3-7-10/h1-9H
InChIKeyJXVBNSUTUSYBNW-UHFFFAOYSA-N
MW256.69 g/mol
LogP4.06
Rot. Bonds2

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

2-(2-chlorophenyl)-5-phenyl-1,3,4-oxadiazole (PubChem CID 884660) has the molecular formula C14H9ClN2O and a molecular weight of 256.69 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-chlorophenyl)-5-phenyl-1,3,4-oxadiazole
PubChem CID884660
Molecular FormulaC14H9ClN2O
Molecular Weight256.69 g/mol
Exact Mass256.04
IUPAC Name2-(2-chlorophenyl)-5-phenyl-1,3,4-oxadiazole
SMILESClc1ccccc1-c1nnc(-c2ccccc2)o1
InChIInChI=1S/C14H9ClN2O/c15-12-9-5-4-8-11(12)14-17-16-13(18-14)10-6-2-1-3-7-10/h1-9H
InChIKeyJXVBNSUTUSYBNW-UHFFFAOYSA-N
XLogP4.06
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-(2-chlorophenyl)-5-phenyl-1,3,4-oxadiazole (CID 884660) is 2-(2-chlorophenyl)-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-chlorophenyl)-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-chlorophenyl)-5-phenyl-1,3,4-oxadiazole is Clc1ccccc1-c1nnc(-c2ccccc2)o1.
What is the InChIKey of 2-(2-chlorophenyl)-5-phenyl-1,3,4-oxadiazole?
The InChIKey is JXVBNSUTUSYBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O/c15-12-9-5-4-8-11(12)14-17-16-13(18-14)10-6-2-1-3-7-10/h1-9H.
What are the key properties of 2-(2-chlorophenyl)-5-phenyl-1,3,4-oxadiazole?
2-(2-chlorophenyl)-5-phenyl-1,3,4-oxadiazole has a molecular weight of 256.69 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 884660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).