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

C15H9F3N4O2 — CID 71230854

IUPACN-pyridin-3-yl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
SMILESO=C(Nc1cccnc1)c1ccc(-c2noc(C(F)(F)F)n2)cc1
InChIInChI=1S/C15H9F3N4O2/c16-15(17,18)14-21-12(22-24-14)9-3-5-10(6-4-9)13(23)20-11-2-1-7-19-8-11/h1-8H,(H,20,23)
InChIKeyWKYPMIUTBVBTBC-UHFFFAOYSA-N
MW334.26 g/mol
LogP3.40
Rot. Bonds3

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

N-pyridin-3-yl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide (PubChem CID 71230854) has the molecular formula C15H9F3N4O2 and a molecular weight of 334.26 g/mol. Its IUPAC name is N-pyridin-3-yl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide.

Molecular Properties

Compound NameN-pyridin-3-yl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
PubChem CID71230854
Molecular FormulaC15H9F3N4O2
Molecular Weight334.26 g/mol
Exact Mass334.07
IUPAC NameN-pyridin-3-yl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
SMILESO=C(Nc1cccnc1)c1ccc(-c2noc(C(F)(F)F)n2)cc1
InChIInChI=1S/C15H9F3N4O2/c16-15(17,18)14-21-12(22-24-14)9-3-5-10(6-4-9)13(23)20-11-2-1-7-19-8-11/h1-8H,(H,20,23)
InChIKeyWKYPMIUTBVBTBC-UHFFFAOYSA-N
XLogP3.40
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-pyridin-3-yl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The IUPAC name of N-pyridin-3-yl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide (CID 71230854) is N-pyridin-3-yl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide.
What is the SMILES notation for N-pyridin-3-yl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The canonical SMILES for N-pyridin-3-yl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide is O=C(Nc1cccnc1)c1ccc(-c2noc(C(F)(F)F)n2)cc1.
What is the InChIKey of N-pyridin-3-yl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The InChIKey is WKYPMIUTBVBTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N4O2/c16-15(17,18)14-21-12(22-24-14)9-3-5-10(6-4-9)13(23)20-11-2-1-7-19-8-11/h1-8H,(H,20,23).
What are the key properties of N-pyridin-3-yl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
N-pyridin-3-yl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide has a molecular weight of 334.26 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-3-yl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide is sourced from PubChem (CID 71230854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).