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

C15H9F3N4O3 — CID 71230811

IUPACN-(2-oxo-1H-pyridin-4-yl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
SMILESO=C(Nc1cc[nH]c(=O)c1)c1ccc(-c2noc(C(F)(F)F)n2)cc1
InChIInChI=1S/C15H9F3N4O3/c16-15(17,18)14-21-12(22-25-14)8-1-3-9(4-2-8)13(24)20-10-5-6-19-11(23)7-10/h1-7H,(H2,19,20,23,24)
InChIKeyNLRDGERSGBVMEI-UHFFFAOYSA-N
MW350.26 g/mol
LogP2.70
Rot. Bonds3

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

N-(2-oxo-1H-pyridin-4-yl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide (PubChem CID 71230811) has the molecular formula C15H9F3N4O3 and a molecular weight of 350.26 g/mol. Its IUPAC name is N-(2-oxo-1H-pyridin-4-yl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide.

Molecular Properties

Compound NameN-(2-oxo-1H-pyridin-4-yl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
PubChem CID71230811
Molecular FormulaC15H9F3N4O3
Molecular Weight350.26 g/mol
Exact Mass350.06
IUPAC NameN-(2-oxo-1H-pyridin-4-yl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
SMILESO=C(Nc1cc[nH]c(=O)c1)c1ccc(-c2noc(C(F)(F)F)n2)cc1
InChIInChI=1S/C15H9F3N4O3/c16-15(17,18)14-21-12(22-25-14)8-1-3-9(4-2-8)13(24)20-10-5-6-19-11(23)7-10/h1-7H,(H2,19,20,23,24)
InChIKeyNLRDGERSGBVMEI-UHFFFAOYSA-N
XLogP2.70
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-1H-pyridin-4-yl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The IUPAC name of N-(2-oxo-1H-pyridin-4-yl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide (CID 71230811) is N-(2-oxo-1H-pyridin-4-yl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide.
What is the SMILES notation for N-(2-oxo-1H-pyridin-4-yl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The canonical SMILES for N-(2-oxo-1H-pyridin-4-yl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide is O=C(Nc1cc[nH]c(=O)c1)c1ccc(-c2noc(C(F)(F)F)n2)cc1.
What is the InChIKey of N-(2-oxo-1H-pyridin-4-yl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The InChIKey is NLRDGERSGBVMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N4O3/c16-15(17,18)14-21-12(22-25-14)8-1-3-9(4-2-8)13(24)20-10-5-6-19-11(23)7-10/h1-7H,(H2,19,20,23,24).
What are the key properties of N-(2-oxo-1H-pyridin-4-yl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
N-(2-oxo-1H-pyridin-4-yl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide has a molecular weight of 350.26 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-1H-pyridin-4-yl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide is sourced from PubChem (CID 71230811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).