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

C16H13ClN2O — CID 874863

IUPAC3-(4-chlorophenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole
SMILESClc1ccc(-c2noc(CCc3ccccc3)n2)cc1
InChIInChI=1S/C16H13ClN2O/c17-14-9-7-13(8-10-14)16-18-15(20-19-16)11-6-12-4-2-1-3-5-12/h1-5,7-10H,6,11H2
InChIKeyRWLOQKKJKYTWBS-UHFFFAOYSA-N
MW284.75 g/mol
LogP4.18
Rot. Bonds4

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

3-(4-chlorophenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole (PubChem CID 874863) has the molecular formula C16H13ClN2O and a molecular weight of 284.75 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole
PubChem CID874863
Molecular FormulaC16H13ClN2O
Molecular Weight284.75 g/mol
Exact Mass284.07
IUPAC Name3-(4-chlorophenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole
SMILESClc1ccc(-c2noc(CCc3ccccc3)n2)cc1
InChIInChI=1S/C16H13ClN2O/c17-14-9-7-13(8-10-14)16-18-15(20-19-16)11-6-12-4-2-1-3-5-12/h1-5,7-10H,6,11H2
InChIKeyRWLOQKKJKYTWBS-UHFFFAOYSA-N
XLogP4.18
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(4-chlorophenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2-benzylsulfanylethyl)-3-(4-chlorophenyl)-1,2,4-oxadiazole
CID 8798150
3-(2,4-dichlorophenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole
CID 19326469
N'-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 120872425
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-3-phenylpropanamide
CID 8836361
4-[5-(3-phenylpropyl)-1,2,4-oxadiazol-3-yl]aniline
CID 43525067
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butan-1-ol
CID 79191177
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanenitrile
CID 106523544
5-(bromomethyl)-3-(4-chlorophenyl)-1,2,4-oxadiazole
CID 59402660
N-benzyl-2-chloro-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 83290453
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-4-phenylbutanamide
CID 8874898
1-benzyl-3-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylguanidine;hydroiodide
CID 111554882
2-[benzyl-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]amino]ethanol
CID 42287027

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(4-chlorophenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole (CID 874863) is 3-(4-chlorophenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-chlorophenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-chlorophenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole is Clc1ccc(-c2noc(CCc3ccccc3)n2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole?
The InChIKey is RWLOQKKJKYTWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O/c17-14-9-7-13(8-10-14)16-18-15(20-19-16)11-6-12-4-2-1-3-5-12/h1-5,7-10H,6,11H2.
What are the key properties of 3-(4-chlorophenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole?
3-(4-chlorophenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole has a molecular weight of 284.75 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 874863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).