4-fluoro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide

C16H12FN3O2 — CID 2990746

IUPAC4-fluoro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
SMILESO=C(NCc1nc(-c2ccccc2)no1)c1ccc(F)cc1
InChIInChI=1S/C16H12FN3O2/c17-13-8-6-12(7-9-13)16(21)18-10-14-19-15(20-22-14)11-4-2-1-3-5-11/h1-9H,10H2,(H,18,21)
InChIKeyQQWWDTDFYWIGCZ-UHFFFAOYSA-N
MW297.29 g/mol
LogP2.81
Rot. Bonds4

About 4-fluoro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide

4-fluoro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide (PubChem CID 2990746) has the molecular formula C16H12FN3O2 and a molecular weight of 297.29 g/mol. Its IUPAC name is 4-fluoro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
PubChem CID2990746
Molecular FormulaC16H12FN3O2
Molecular Weight297.29 g/mol
Exact Mass297.09
IUPAC Name4-fluoro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
SMILESO=C(NCc1nc(-c2ccccc2)no1)c1ccc(F)cc1
InChIInChI=1S/C16H12FN3O2/c17-13-8-6-12(7-9-13)16(21)18-10-14-19-15(20-22-14)11-4-2-1-3-5-11/h1-9H,10H2,(H,18,21)
InChIKeyQQWWDTDFYWIGCZ-UHFFFAOYSA-N
XLogP2.81
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-fluoro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]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-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide?
The IUPAC name of 4-fluoro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide (CID 2990746) is 4-fluoro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide?
The canonical SMILES for 4-fluoro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide is O=C(NCc1nc(-c2ccccc2)no1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide?
The InChIKey is QQWWDTDFYWIGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O2/c17-13-8-6-12(7-9-13)16(21)18-10-14-19-15(20-22-14)11-4-2-1-3-5-11/h1-9H,10H2,(H,18,21).
What are the key properties of 4-fluoro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide?
4-fluoro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide has a molecular weight of 297.29 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide is sourced from PubChem (CID 2990746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).