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

C17H14FN3O2 — CID 3506531

IUPAC4-fluoro-N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide
SMILESCc1ccc(-c2nc(CNC(=O)c3ccc(F)cc3)no2)cc1
InChIInChI=1S/C17H14FN3O2/c1-11-2-4-13(5-3-11)17-20-15(21-23-17)10-19-16(22)12-6-8-14(18)9-7-12/h2-9H,10H2,1H3,(H,19,22)
InChIKeyLUWNTYQIPJVNSX-UHFFFAOYSA-N
MW311.32 g/mol
LogP3.11
Rot. Bonds4

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

4-fluoro-N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide (PubChem CID 3506531) has the molecular formula C17H14FN3O2 and a molecular weight of 311.32 g/mol. Its IUPAC name is 4-fluoro-N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide
PubChem CID3506531
Molecular FormulaC17H14FN3O2
Molecular Weight311.32 g/mol
Exact Mass311.11
IUPAC Name4-fluoro-N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide
SMILESCc1ccc(-c2nc(CNC(=O)c3ccc(F)cc3)no2)cc1
InChIInChI=1S/C17H14FN3O2/c1-11-2-4-13(5-3-11)17-20-15(21-23-17)10-19-16(22)12-6-8-14(18)9-7-12/h2-9H,10H2,1H3,(H,19,22)
InChIKeyLUWNTYQIPJVNSX-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

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Related Compounds

4-fluoro-N-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide
CID 50755693
N-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2,2-dimethylpropanamide
CID 53098271
2-bromo-N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide
CID 3903910
N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylacetamide
CID 53098206
N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-4-methylbenzamide
CID 16866853
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]benzamide
CID 50828677
4,4,4-trifluoro-N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]butanamide
CID 53098243
2-(2-methylphenyl)-N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide
CID 53098318
3-(4-fluorophenyl)-N-[2-[(4-methylbenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17083881
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)benzamide
CID 46385483
N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-nitrobenzamide
CID 4297901
4-ethoxy-N-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide
CID 53003527

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide?
The IUPAC name of 4-fluoro-N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide (CID 3506531) is 4-fluoro-N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide?
The canonical SMILES for 4-fluoro-N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide is Cc1ccc(-c2nc(CNC(=O)c3ccc(F)cc3)no2)cc1.
What is the InChIKey of 4-fluoro-N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide?
The InChIKey is LUWNTYQIPJVNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O2/c1-11-2-4-13(5-3-11)17-20-15(21-23-17)10-19-16(22)12-6-8-14(18)9-7-12/h2-9H,10H2,1H3,(H,19,22).
What are the key properties of 4-fluoro-N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide?
4-fluoro-N-[[5-(4-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-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide is sourced from PubChem (CID 3506531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).