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

C10H6F3N3O3 — CID 59581444

IUPAC4-hydroxy-N-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
SMILESO=C(Nc1noc(C(F)(F)F)n1)c1ccc(O)cc1
InChIInChI=1S/C10H6F3N3O3/c11-10(12,13)8-15-9(16-19-8)14-7(18)5-1-3-6(17)4-2-5/h1-4,17H,(H,14,16,18)
InChIKeyJVHYWKFKCVBMKT-UHFFFAOYSA-N
MW273.17 g/mol
LogP2.05
Rot. Bonds2

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

4-hydroxy-N-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide (PubChem CID 59581444) has the molecular formula C10H6F3N3O3 and a molecular weight of 273.17 g/mol. Its IUPAC name is 4-hydroxy-N-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide.

Molecular Properties

Compound Name4-hydroxy-N-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
PubChem CID59581444
Molecular FormulaC10H6F3N3O3
Molecular Weight273.17 g/mol
Exact Mass273.04
IUPAC Name4-hydroxy-N-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
SMILESO=C(Nc1noc(C(F)(F)F)n1)c1ccc(O)cc1
InChIInChI=1S/C10H6F3N3O3/c11-10(12,13)8-15-9(16-19-8)14-7(18)5-1-3-6(17)4-2-5/h1-4,17H,(H,14,16,18)
InChIKeyJVHYWKFKCVBMKT-UHFFFAOYSA-N
XLogP2.05
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.17
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The IUPAC name of 4-hydroxy-N-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide (CID 59581444) is 4-hydroxy-N-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide.
What is the SMILES notation for 4-hydroxy-N-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The canonical SMILES for 4-hydroxy-N-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide is O=C(Nc1noc(C(F)(F)F)n1)c1ccc(O)cc1.
What is the InChIKey of 4-hydroxy-N-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The InChIKey is JVHYWKFKCVBMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3N3O3/c11-10(12,13)8-15-9(16-19-8)14-7(18)5-1-3-6(17)4-2-5/h1-4,17H,(H,14,16,18).
What are the key properties of 4-hydroxy-N-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
4-hydroxy-N-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide has a molecular weight of 273.17 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide is sourced from PubChem (CID 59581444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).