4-benzyl-3,5-diphenyl-5H-1,2,4-oxadiazole

C21H18N2O — CID 12674725

IUPAC4-benzyl-3,5-diphenyl-5H-1,2,4-oxadiazole
SMILESc1ccc(CN2C(c3ccccc3)=NOC2c2ccccc2)cc1
InChIInChI=1S/C21H18N2O/c1-4-10-17(11-5-1)16-23-20(18-12-6-2-7-13-18)22-24-21(23)19-14-8-3-9-15-19/h1-15,21H,16H2
InChIKeyWCTUVNHBBXMNCN-UHFFFAOYSA-N
MW314.39 g/mol
LogP4.58
Rot. Bonds4

About 4-benzyl-3,5-diphenyl-5H-1,2,4-oxadiazole

4-benzyl-3,5-diphenyl-5H-1,2,4-oxadiazole (PubChem CID 12674725) has the molecular formula C21H18N2O and a molecular weight of 314.39 g/mol. Its IUPAC name is 4-benzyl-3,5-diphenyl-5H-1,2,4-oxadiazole.

Molecular Properties

Compound Name4-benzyl-3,5-diphenyl-5H-1,2,4-oxadiazole
PubChem CID12674725
Molecular FormulaC21H18N2O
Molecular Weight314.39 g/mol
Exact Mass314.14
IUPAC Name4-benzyl-3,5-diphenyl-5H-1,2,4-oxadiazole
SMILESc1ccc(CN2C(c3ccccc3)=NOC2c2ccccc2)cc1
InChIInChI=1S/C21H18N2O/c1-4-10-17(11-5-1)16-23-20(18-12-6-2-7-13-18)22-24-21(23)19-14-8-3-9-15-19/h1-15,21H,16H2
InChIKeyWCTUVNHBBXMNCN-UHFFFAOYSA-N
XLogP4.58
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-3,5-diphenyl-5H-1,2,4-oxadiazole?
The IUPAC name of 4-benzyl-3,5-diphenyl-5H-1,2,4-oxadiazole (CID 12674725) is 4-benzyl-3,5-diphenyl-5H-1,2,4-oxadiazole.
What is the SMILES notation for 4-benzyl-3,5-diphenyl-5H-1,2,4-oxadiazole?
The canonical SMILES for 4-benzyl-3,5-diphenyl-5H-1,2,4-oxadiazole is c1ccc(CN2C(c3ccccc3)=NOC2c2ccccc2)cc1.
What is the InChIKey of 4-benzyl-3,5-diphenyl-5H-1,2,4-oxadiazole?
The InChIKey is WCTUVNHBBXMNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O/c1-4-10-17(11-5-1)16-23-20(18-12-6-2-7-13-18)22-24-21(23)19-14-8-3-9-15-19/h1-15,21H,16H2.
What are the key properties of 4-benzyl-3,5-diphenyl-5H-1,2,4-oxadiazole?
4-benzyl-3,5-diphenyl-5H-1,2,4-oxadiazole has a molecular weight of 314.39 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-3,5-diphenyl-5H-1,2,4-oxadiazole is sourced from PubChem (CID 12674725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).