benzyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate

C22H16N2O3 — CID 1286674

IUPACbenzyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate
SMILESO=C(OCc1ccccc1)c1cccc(-c2nnc(-c3ccccc3)o2)c1
InChIInChI=1S/C22H16N2O3/c25-22(26-15-16-8-3-1-4-9-16)19-13-7-12-18(14-19)21-24-23-20(27-21)17-10-5-2-6-11-17/h1-14H,15H2
InChIKeyOSXSLUSBPKFNQZ-UHFFFAOYSA-N
MW356.38 g/mol
LogP4.76
Rot. Bonds5

About benzyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate

benzyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate (PubChem CID 1286674) has the molecular formula C22H16N2O3 and a molecular weight of 356.38 g/mol. Its IUPAC name is benzyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate.

Molecular Properties

Compound Namebenzyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate
PubChem CID1286674
Molecular FormulaC22H16N2O3
Molecular Weight356.38 g/mol
Exact Mass356.12
IUPAC Namebenzyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate
SMILESO=C(OCc1ccccc1)c1cccc(-c2nnc(-c3ccccc3)o2)c1
InChIInChI=1S/C22H16N2O3/c25-22(26-15-16-8-3-1-4-9-16)19-13-7-12-18(14-19)21-24-23-20(27-21)17-10-5-2-6-11-17/h1-14H,15H2
InChIKeyOSXSLUSBPKFNQZ-UHFFFAOYSA-N
XLogP4.76
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze benzyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of benzyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate?
The IUPAC name of benzyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate (CID 1286674) is benzyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate.
What is the SMILES notation for benzyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate?
The canonical SMILES for benzyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate is O=C(OCc1ccccc1)c1cccc(-c2nnc(-c3ccccc3)o2)c1.
What is the InChIKey of benzyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate?
The InChIKey is OSXSLUSBPKFNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O3/c25-22(26-15-16-8-3-1-4-9-16)19-13-7-12-18(14-19)21-24-23-20(27-21)17-10-5-2-6-11-17/h1-14H,15H2.
What are the key properties of benzyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate?
benzyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate has a molecular weight of 356.38 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate is sourced from PubChem (CID 1286674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).