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

C15H12N2O — CID 800230

IUPAC2-benzyl-5-phenyl-1,3,4-oxadiazole
SMILESc1ccc(Cc2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C15H12N2O/c1-3-7-12(8-4-1)11-14-16-17-15(18-14)13-9-5-2-6-10-13/h1-10H,11H2
InChIKeyYLDZBWPHDSLHFF-UHFFFAOYSA-N
MW236.27 g/mol
LogP3.33
Rot. Bonds3

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

2-benzyl-5-phenyl-1,3,4-oxadiazole (PubChem CID 800230) has the molecular formula C15H12N2O and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-benzyl-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-benzyl-5-phenyl-1,3,4-oxadiazole
PubChem CID800230
Molecular FormulaC15H12N2O
Molecular Weight236.27 g/mol
Exact Mass236.09
IUPAC Name2-benzyl-5-phenyl-1,3,4-oxadiazole
SMILESc1ccc(Cc2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C15H12N2O/c1-3-7-12(8-4-1)11-14-16-17-15(18-14)13-9-5-2-6-10-13/h1-10H,11H2
InChIKeyYLDZBWPHDSLHFF-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

1,3,4-Oxadiazole, 2-5-diphenyl-
CID 12888
2-(4-Chlorophenyl)-5-phenyl-1,3,4-oxadiazole
CID 853632
1,3,4-Oxadiazole, 2-phenyl-
CID 13217
4-(5-Phenyl-1,3,4-oxadiazol-2-yl)benzoic acid
CID 596995
2-(4-Methylphenyl)-5-phenyl-1,3,4-oxadiazole
CID 259997
2-(Chloromethyl)-5-phenyl-1,3,4-oxadiazole
CID 314941
2-[(5-Phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetic acid
CID 351190
2,5-Bis(4-methylphenyl)-1,3,4-oxadiazole
CID 17227
2-Biphenyl-4-yl-5-phenyl-1,3,4-oxadiazole
CID 70065
2-(4-Biphenylyl)-5-(4-tert-butylphenyl)-1,3,4-oxadiazole
CID 84782
4-(5-Phenyl-1,3,4-oxadiazol-2-yl)aniline
CID 818368
1,3,4-Oxadiazole, 2-amino-5-phenyl-
CID 15363

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-benzyl-5-phenyl-1,3,4-oxadiazole (CID 800230) is 2-benzyl-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-benzyl-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-benzyl-5-phenyl-1,3,4-oxadiazole is c1ccc(Cc2nnc(-c3ccccc3)o2)cc1.
What is the InChIKey of 2-benzyl-5-phenyl-1,3,4-oxadiazole?
The InChIKey is YLDZBWPHDSLHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O/c1-3-7-12(8-4-1)11-14-16-17-15(18-14)13-9-5-2-6-10-13/h1-10H,11H2.
What are the key properties of 2-benzyl-5-phenyl-1,3,4-oxadiazole?
2-benzyl-5-phenyl-1,3,4-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 2-benzyl-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 800230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).