N-(5-benzyl-1,3,4-oxadiazol-2-yl)-2-(4-fluorophenyl)acetamide

C17H14FN3O2 — CID 16917440

IUPACN-(5-benzyl-1,3,4-oxadiazol-2-yl)-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1nnc(Cc2ccccc2)o1
InChIInChI=1S/C17H14FN3O2/c18-14-8-6-13(7-9-14)10-15(22)19-17-21-20-16(23-17)11-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,19,21,22)
InChIKeyHSYWRROEGHZWTO-UHFFFAOYSA-N
MW311.32 g/mol
LogP2.98
Rot. Bonds5

About N-(5-benzyl-1,3,4-oxadiazol-2-yl)-2-(4-fluorophenyl)acetamide

N-(5-benzyl-1,3,4-oxadiazol-2-yl)-2-(4-fluorophenyl)acetamide (PubChem CID 16917440) has the molecular formula C17H14FN3O2 and a molecular weight of 311.32 g/mol. Its IUPAC name is N-(5-benzyl-1,3,4-oxadiazol-2-yl)-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-(5-benzyl-1,3,4-oxadiazol-2-yl)-2-(4-fluorophenyl)acetamide
PubChem CID16917440
Molecular FormulaC17H14FN3O2
Molecular Weight311.32 g/mol
Exact Mass311.11
IUPAC NameN-(5-benzyl-1,3,4-oxadiazol-2-yl)-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1nnc(Cc2ccccc2)o1
InChIInChI=1S/C17H14FN3O2/c18-14-8-6-13(7-9-14)10-15(22)19-17-21-20-16(23-17)11-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,19,21,22)
InChIKeyHSYWRROEGHZWTO-UHFFFAOYSA-N
XLogP2.98
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(5-benzyl-1,3,4-oxadiazol-2-yl)-2-(4-fluorophenyl)acetamide 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 N-(5-benzyl-1,3,4-oxadiazol-2-yl)-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-(5-benzyl-1,3,4-oxadiazol-2-yl)-2-(4-fluorophenyl)acetamide (CID 16917440) is N-(5-benzyl-1,3,4-oxadiazol-2-yl)-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-(5-benzyl-1,3,4-oxadiazol-2-yl)-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-(5-benzyl-1,3,4-oxadiazol-2-yl)-2-(4-fluorophenyl)acetamide is O=C(Cc1ccc(F)cc1)Nc1nnc(Cc2ccccc2)o1.
What is the InChIKey of N-(5-benzyl-1,3,4-oxadiazol-2-yl)-2-(4-fluorophenyl)acetamide?
The InChIKey is HSYWRROEGHZWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O2/c18-14-8-6-13(7-9-14)10-15(22)19-17-21-20-16(23-17)11-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,19,21,22).
What are the key properties of N-(5-benzyl-1,3,4-oxadiazol-2-yl)-2-(4-fluorophenyl)acetamide?
N-(5-benzyl-1,3,4-oxadiazol-2-yl)-2-(4-fluorophenyl)acetamide has a molecular weight of 311.32 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-1,3,4-oxadiazol-2-yl)-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 16917440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).