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

C15H11ClN2O — CID 747211

IUPAC3-benzyl-5-(4-chlorophenyl)-1,2,4-oxadiazole
SMILESClc1ccc(-c2nc(Cc3ccccc3)no2)cc1
InChIInChI=1S/C15H11ClN2O/c16-13-8-6-12(7-9-13)15-17-14(18-19-15)10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKeyVYQVHMFLILNFHW-UHFFFAOYSA-N
MW270.72 g/mol
LogP3.98
Rot. Bonds3

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

3-benzyl-5-(4-chlorophenyl)-1,2,4-oxadiazole (PubChem CID 747211) has the molecular formula C15H11ClN2O and a molecular weight of 270.72 g/mol. Its IUPAC name is 3-benzyl-5-(4-chlorophenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-benzyl-5-(4-chlorophenyl)-1,2,4-oxadiazole
PubChem CID747211
Molecular FormulaC15H11ClN2O
Molecular Weight270.72 g/mol
Exact Mass270.06
IUPAC Name3-benzyl-5-(4-chlorophenyl)-1,2,4-oxadiazole
SMILESClc1ccc(-c2nc(Cc3ccccc3)no2)cc1
InChIInChI=1S/C15H11ClN2O/c16-13-8-6-12(7-9-13)15-17-14(18-19-15)10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKeyVYQVHMFLILNFHW-UHFFFAOYSA-N
XLogP3.98
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-Diphenyl-1,2,4-oxadiazole
CID 136695
3-Methyl-5-phenyl-1,2,4-oxadiazole
CID 136937
3-(4-chlorophenyl)-5-[(E)-2-phenylethenyl]-1,2,4-oxadiazole
CID 5713687
5-(4-Methylphenyl)-3-phenyl-1,2,4-oxadiazole
CID 577305
5-(4-Chlorophenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 803562
3-Cyclohexyl-5-phenyl-1,2,4-oxadiazole
CID 876263
3-(Chloromethyl)-5-phenyl-1,2,4-oxadiazole
CID 302154
5-(2-Chloro-4-methylphenyl)-3-phenyl-1,2,4-oxadiazole
CID 2056784
5-(4-Chlorophenyl)-3-cyclohexyl-1,2,4-oxadiazole
CID 741929
3-(4-Chlorophenyl)-5-(2,6-difluorophenyl)-1,2,4-oxadiazole
CID 2803952
2-(3-Phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 666146
5-(2-Fluorophenyl)-3-phenyl-1,2,4-oxadiazole
CID 2876651

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-(4-chlorophenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-benzyl-5-(4-chlorophenyl)-1,2,4-oxadiazole (CID 747211) is 3-benzyl-5-(4-chlorophenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-benzyl-5-(4-chlorophenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-benzyl-5-(4-chlorophenyl)-1,2,4-oxadiazole is Clc1ccc(-c2nc(Cc3ccccc3)no2)cc1.
What is the InChIKey of 3-benzyl-5-(4-chlorophenyl)-1,2,4-oxadiazole?
The InChIKey is VYQVHMFLILNFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O/c16-13-8-6-12(7-9-13)15-17-14(18-19-15)10-11-4-2-1-3-5-11/h1-9H,10H2.
What are the key properties of 3-benzyl-5-(4-chlorophenyl)-1,2,4-oxadiazole?
3-benzyl-5-(4-chlorophenyl)-1,2,4-oxadiazole has a molecular weight of 270.72 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-(4-chlorophenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 747211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).