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

C15H8F4N4O2 — CID 71230746

IUPACN-(2-fluoro-4-pyridinyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
SMILESO=C(Nc1ccnc(F)c1)c1ccc(-c2noc(C(F)(F)F)n2)cc1
InChIInChI=1S/C15H8F4N4O2/c16-11-7-10(5-6-20-11)21-13(24)9-3-1-8(2-4-9)12-22-14(25-23-12)15(17,18)19/h1-7H,(H,20,21,24)
InChIKeyBXFUKLNQVVWJAF-UHFFFAOYSA-N
MW352.25 g/mol
LogP3.54
Rot. Bonds3

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

N-(2-fluoro-4-pyridinyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide (PubChem CID 71230746) has the molecular formula C15H8F4N4O2 and a molecular weight of 352.25 g/mol. Its IUPAC name is N-(2-fluoro-4-pyridinyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide.

Molecular Properties

Compound NameN-(2-fluoro-4-pyridinyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
PubChem CID71230746
Molecular FormulaC15H8F4N4O2
Molecular Weight352.25 g/mol
Exact Mass352.06
IUPAC NameN-(2-fluoro-4-pyridinyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
SMILESO=C(Nc1ccnc(F)c1)c1ccc(-c2noc(C(F)(F)F)n2)cc1
InChIInChI=1S/C15H8F4N4O2/c16-11-7-10(5-6-20-11)21-13(24)9-3-1-8(2-4-9)12-22-14(25-23-12)15(17,18)19/h1-7H,(H,20,21,24)
InChIKeyBXFUKLNQVVWJAF-UHFFFAOYSA-N
XLogP3.54
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.25
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-pyridinyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The IUPAC name of N-(2-fluoro-4-pyridinyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide (CID 71230746) is N-(2-fluoro-4-pyridinyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide.
What is the SMILES notation for N-(2-fluoro-4-pyridinyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The canonical SMILES for N-(2-fluoro-4-pyridinyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide is O=C(Nc1ccnc(F)c1)c1ccc(-c2noc(C(F)(F)F)n2)cc1.
What is the InChIKey of N-(2-fluoro-4-pyridinyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The InChIKey is BXFUKLNQVVWJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F4N4O2/c16-11-7-10(5-6-20-11)21-13(24)9-3-1-8(2-4-9)12-22-14(25-23-12)15(17,18)19/h1-7H,(H,20,21,24).
What are the key properties of N-(2-fluoro-4-pyridinyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
N-(2-fluoro-4-pyridinyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide has a molecular weight of 352.25 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-pyridinyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide is sourced from PubChem (CID 71230746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).