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

C16H9F4N3O2 — CID 139464968

IUPAC3-fluoro-N-phenyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
SMILESO=C(Nc1ccccc1)c1ccc(-c2noc(C(F)(F)F)n2)c(F)c1
InChIInChI=1S/C16H9F4N3O2/c17-12-8-9(14(24)21-10-4-2-1-3-5-10)6-7-11(12)13-22-15(25-23-13)16(18,19)20/h1-8H,(H,21,24)
InChIKeyFIBFUIBLMDYGQF-UHFFFAOYSA-N
MW351.26 g/mol
LogP4.15
Rot. Bonds3

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

3-fluoro-N-phenyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide (PubChem CID 139464968) has the molecular formula C16H9F4N3O2 and a molecular weight of 351.26 g/mol. Its IUPAC name is 3-fluoro-N-phenyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-phenyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
PubChem CID139464968
Molecular FormulaC16H9F4N3O2
Molecular Weight351.26 g/mol
Exact Mass351.06
IUPAC Name3-fluoro-N-phenyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
SMILESO=C(Nc1ccccc1)c1ccc(-c2noc(C(F)(F)F)n2)c(F)c1
InChIInChI=1S/C16H9F4N3O2/c17-12-8-9(14(24)21-10-4-2-1-3-5-10)6-7-11(12)13-22-15(25-23-13)16(18,19)20/h1-8H,(H,21,24)
InChIKeyFIBFUIBLMDYGQF-UHFFFAOYSA-N
XLogP4.15
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.26
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-({3-[3-(3-Methylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl}amino)benzamide
CID 1944711
N-[(2R)-1-[(4-fluorophenyl)methyl-methylamino]propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 164881623
4-[4-[3-(3-Methylphenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]benzamide
CID 1853507
N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]acetamide
CID 4896210
N-(2-aminophenyl)-7-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]heptanamide
CID 46203951
N-(2-aminophenyl)-4-[[(3-phenyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]benzamide
CID 118735146
N-(2-aminophenyl)-4-[[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]methyl]benzamide
CID 118735152
N-cyclopropyl-3-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide
CID 9360652
N-benzyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 71230694
N-(2-fluoropyridin-4-yl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 71230746
N-cyclohexyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 71230750
N-(2-oxo-1H-pyridin-4-yl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 71230811

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-phenyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The IUPAC name of 3-fluoro-N-phenyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide (CID 139464968) is 3-fluoro-N-phenyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide.
What is the SMILES notation for 3-fluoro-N-phenyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The canonical SMILES for 3-fluoro-N-phenyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide is O=C(Nc1ccccc1)c1ccc(-c2noc(C(F)(F)F)n2)c(F)c1.
What is the InChIKey of 3-fluoro-N-phenyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The InChIKey is FIBFUIBLMDYGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F4N3O2/c17-12-8-9(14(24)21-10-4-2-1-3-5-10)6-7-11(12)13-22-15(25-23-13)16(18,19)20/h1-8H,(H,21,24).
What are the key properties of 3-fluoro-N-phenyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
3-fluoro-N-phenyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide has a molecular weight of 351.26 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-phenyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide is sourced from PubChem (CID 139464968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).