4-fluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide

C13H13FN4O2 — CID 102703098

IUPAC4-fluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide
SMILESO=C(Nc1nnc(C2CCCN2)o1)c1ccc(F)cc1
InChIInChI=1S/C13H13FN4O2/c14-9-5-3-8(4-6-9)11(19)16-13-18-17-12(20-13)10-2-1-7-15-10/h3-6,10,15H,1-2,7H2,(H,16,18,19)
InChIKeyMLHQUFPRZFJAHJ-UHFFFAOYSA-N
MW276.27 g/mol
LogP1.89
Rot. Bonds3

About 4-fluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide

4-fluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 102703098) has the molecular formula C13H13FN4O2 and a molecular weight of 276.27 g/mol. Its IUPAC name is 4-fluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide
PubChem CID102703098
Molecular FormulaC13H13FN4O2
Molecular Weight276.27 g/mol
Exact Mass276.10
IUPAC Name4-fluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide
SMILESO=C(Nc1nnc(C2CCCN2)o1)c1ccc(F)cc1
InChIInChI=1S/C13H13FN4O2/c14-9-5-3-8(4-6-9)11(19)16-13-18-17-12(20-13)10-2-1-7-15-10/h3-6,10,15H,1-2,7H2,(H,16,18,19)
InChIKeyMLHQUFPRZFJAHJ-UHFFFAOYSA-N
XLogP1.89
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-fluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide 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 4-fluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
The IUPAC name of 4-fluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide (CID 102703098) is 4-fluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide.
What is the SMILES notation for 4-fluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
The canonical SMILES for 4-fluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide is O=C(Nc1nnc(C2CCCN2)o1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
The InChIKey is MLHQUFPRZFJAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4O2/c14-9-5-3-8(4-6-9)11(19)16-13-18-17-12(20-13)10-2-1-7-15-10/h3-6,10,15H,1-2,7H2,(H,16,18,19).
What are the key properties of 4-fluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
4-fluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide has a molecular weight of 276.27 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 102703098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).