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

C17H14FN3O2 — CID 50755693

IUPAC4-fluoro-N-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide
SMILESCc1cccc(-c2nc(CNC(=O)c3ccc(F)cc3)no2)c1
InChIInChI=1S/C17H14FN3O2/c1-11-3-2-4-13(9-11)17-20-15(21-23-17)10-19-16(22)12-5-7-14(18)8-6-12/h2-9H,10H2,1H3,(H,19,22)
InChIKeyVHTLHUYUOCDNCA-UHFFFAOYSA-N
MW311.32 g/mol
LogP3.11
Rot. Bonds4

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

4-fluoro-N-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide (PubChem CID 50755693) has the molecular formula C17H14FN3O2 and a molecular weight of 311.32 g/mol. Its IUPAC name is 4-fluoro-N-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide
PubChem CID50755693
Molecular FormulaC17H14FN3O2
Molecular Weight311.32 g/mol
Exact Mass311.11
IUPAC Name4-fluoro-N-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide
SMILESCc1cccc(-c2nc(CNC(=O)c3ccc(F)cc3)no2)c1
InChIInChI=1S/C17H14FN3O2/c1-11-3-2-4-13(9-11)17-20-15(21-23-17)10-19-16(22)12-5-7-14(18)8-6-12/h2-9H,10H2,1H3,(H,19,22)
InChIKeyVHTLHUYUOCDNCA-UHFFFAOYSA-N
XLogP3.11
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-fluoro-N-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-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

Related Compounds

4-fluoro-N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide
CID 3506531
4-ethoxy-N-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide
CID 53003527
N-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylacetamide
CID 50755617
N-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanecarboxamide
CID 50755860
2,4-dimethoxy-N-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide
CID 50755960
3-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methylamino]propanoic acid
CID 43466307
2-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1-benzofuran-5-carboxamide
CID 46964324
N-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 100617450
N-[2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-N,3-dimethylbenzamide
CID 53055748
N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-methylbenzamide
CID 16866852
2-amino-N-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methylpentanamide
CID 167782328
N-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2,2-dimethylpropanamide
CID 53098271

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide?
The IUPAC name of 4-fluoro-N-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide (CID 50755693) is 4-fluoro-N-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide?
The canonical SMILES for 4-fluoro-N-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide is Cc1cccc(-c2nc(CNC(=O)c3ccc(F)cc3)no2)c1.
What is the InChIKey of 4-fluoro-N-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide?
The InChIKey is VHTLHUYUOCDNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O2/c1-11-3-2-4-13(9-11)17-20-15(21-23-17)10-19-16(22)12-5-7-14(18)8-6-12/h2-9H,10H2,1H3,(H,19,22).
What are the key properties of 4-fluoro-N-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide?
4-fluoro-N-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide has a molecular weight of 311.32 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide is sourced from PubChem (CID 50755693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).