3-benzyl-5-phenyl-1,2,4-oxadiazole

C15H12N2O — CID 4215501

IUPAC3-benzyl-5-phenyl-1,2,4-oxadiazole
SMILESc1ccc(Cc2noc(-c3ccccc3)n2)cc1
InChIInChI=1S/C15H12N2O/c1-3-7-12(8-4-1)11-14-16-15(18-17-14)13-9-5-2-6-10-13/h1-10H,11H2
InChIKeyGZXCYMXIIYLORJ-UHFFFAOYSA-N
MW236.27 g/mol
LogP3.33
Rot. Bonds3

About 3-benzyl-5-phenyl-1,2,4-oxadiazole

3-benzyl-5-phenyl-1,2,4-oxadiazole (PubChem CID 4215501) has the molecular formula C15H12N2O and a molecular weight of 236.27 g/mol. Its IUPAC name is 3-benzyl-5-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-benzyl-5-phenyl-1,2,4-oxadiazole
PubChem CID4215501
Molecular FormulaC15H12N2O
Molecular Weight236.27 g/mol
Exact Mass236.09
IUPAC Name3-benzyl-5-phenyl-1,2,4-oxadiazole
SMILESc1ccc(Cc2noc(-c3ccccc3)n2)cc1
InChIInChI=1S/C15H12N2O/c1-3-7-12(8-4-1)11-14-16-15(18-17-14)13-9-5-2-6-10-13/h1-10H,11H2
InChIKeyGZXCYMXIIYLORJ-UHFFFAOYSA-N
XLogP3.33
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-phenyl-1,2,4-oxadiazole?
The IUPAC name of 3-benzyl-5-phenyl-1,2,4-oxadiazole (CID 4215501) is 3-benzyl-5-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-benzyl-5-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 3-benzyl-5-phenyl-1,2,4-oxadiazole is c1ccc(Cc2noc(-c3ccccc3)n2)cc1.
What is the InChIKey of 3-benzyl-5-phenyl-1,2,4-oxadiazole?
The InChIKey is GZXCYMXIIYLORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O/c1-3-7-12(8-4-1)11-14-16-15(18-17-14)13-9-5-2-6-10-13/h1-10H,11H2.
What are the key properties of 3-benzyl-5-phenyl-1,2,4-oxadiazole?
3-benzyl-5-phenyl-1,2,4-oxadiazole has a molecular weight of 236.27 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 4215501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).