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

C15H12N2O — CID 752274

IUPAC5-benzyl-3-phenyl-1,2,4-oxadiazole
SMILESc1ccc(Cc2nc(-c3ccccc3)no2)cc1
InChIInChI=1S/C15H12N2O/c1-3-7-12(8-4-1)11-14-16-15(17-18-14)13-9-5-2-6-10-13/h1-10H,11H2
InChIKeyGWKVQOWQODFWDQ-UHFFFAOYSA-N
MW236.27 g/mol
LogP3.33
Rot. Bonds3

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

5-benzyl-3-phenyl-1,2,4-oxadiazole (PubChem CID 752274) has the molecular formula C15H12N2O and a molecular weight of 236.27 g/mol. Its IUPAC name is 5-benzyl-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-benzyl-3-phenyl-1,2,4-oxadiazole
PubChem CID752274
Molecular FormulaC15H12N2O
Molecular Weight236.27 g/mol
Exact Mass236.09
IUPAC Name5-benzyl-3-phenyl-1,2,4-oxadiazole
SMILESc1ccc(Cc2nc(-c3ccccc3)no2)cc1
InChIInChI=1S/C15H12N2O/c1-3-7-12(8-4-1)11-14-16-15(17-18-14)13-9-5-2-6-10-13/h1-10H,11H2
InChIKeyGWKVQOWQODFWDQ-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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Related Compounds

3-(4-methylphenyl)-5-[(4-phenylphenyl)methyl]-1,2,4-oxadiazole
CID 8895143
3-(5-benzyl-1,2,4-oxadiazol-3-yl)aniline
CID 43525256
5-benzyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 23605175
3-(4-methoxyphenyl)-5-[(4-phenylphenyl)methyl]-1,2,4-oxadiazole
CID 8895154
2-(3-phenyl-1,2,4-oxadiazol-5-yl)acetic acid
CID 7017713
5-(5-benzyl-1,2,4-oxadiazol-3-yl)-2-methoxyaniline
CID 100559808
5-[(4-methylphenyl)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 895193
N-[4-(5-benzyl-1,2,4-oxadiazol-3-yl)phenyl]-4-fluorobenzamide
CID 17052840
N-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]furan-3-carboxamide
CID 46392010
3-(4-chlorophenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole
CID 874863
3-(4-bromophenyl)-5-[(4-chlorophenyl)methyl]-1,2,4-oxadiazole
CID 926666
N,N-dimethyl-4-[5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]aniline
CID 50769325

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-benzyl-3-phenyl-1,2,4-oxadiazole (CID 752274) is 5-benzyl-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-benzyl-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-benzyl-3-phenyl-1,2,4-oxadiazole is c1ccc(Cc2nc(-c3ccccc3)no2)cc1.
What is the InChIKey of 5-benzyl-3-phenyl-1,2,4-oxadiazole?
The InChIKey is GWKVQOWQODFWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O/c1-3-7-12(8-4-1)11-14-16-15(17-18-14)13-9-5-2-6-10-13/h1-10H,11H2.
What are the key properties of 5-benzyl-3-phenyl-1,2,4-oxadiazole?
5-benzyl-3-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 5-benzyl-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 752274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).