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

C17H14FN3O2 — CID 2997287

IUPAC3-fluoro-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
SMILESCc1ccc(-c2noc(CNC(=O)c3cccc(F)c3)n2)cc1
InChIInChI=1S/C17H14FN3O2/c1-11-5-7-12(8-6-11)16-20-15(23-21-16)10-19-17(22)13-3-2-4-14(18)9-13/h2-9H,10H2,1H3,(H,19,22)
InChIKeySTQGOXWJIRCGND-UHFFFAOYSA-N
MW311.32 g/mol
LogP3.11
Rot. Bonds4

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

3-fluoro-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide (PubChem CID 2997287) has the molecular formula C17H14FN3O2 and a molecular weight of 311.32 g/mol. Its IUPAC name is 3-fluoro-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
PubChem CID2997287
Molecular FormulaC17H14FN3O2
Molecular Weight311.32 g/mol
Exact Mass311.11
IUPAC Name3-fluoro-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
SMILESCc1ccc(-c2noc(CNC(=O)c3cccc(F)c3)n2)cc1
InChIInChI=1S/C17H14FN3O2/c1-11-5-7-12(8-6-11)16-20-15(23-21-16)10-19-17(22)13-3-2-4-14(18)9-13/h2-9H,10H2,1H3,(H,19,22)
InChIKeySTQGOXWJIRCGND-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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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide?
The IUPAC name of 3-fluoro-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide (CID 2997287) is 3-fluoro-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide?
The canonical SMILES for 3-fluoro-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide is Cc1ccc(-c2noc(CNC(=O)c3cccc(F)c3)n2)cc1.
What is the InChIKey of 3-fluoro-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide?
The InChIKey is STQGOXWJIRCGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O2/c1-11-5-7-12(8-6-11)16-20-15(23-21-16)10-19-17(22)13-3-2-4-14(18)9-13/h2-9H,10H2,1H3,(H,19,22).
What are the key properties of 3-fluoro-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide?
3-fluoro-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-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 3-fluoro-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide is sourced from PubChem (CID 2997287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).