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

C16H8F3N5O2 — CID 71230781

IUPACN-(2-cyano-4-pyridinyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
SMILESN#Cc1cc(NC(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)ccn1
InChIInChI=1S/C16H8F3N5O2/c17-16(18,19)15-23-13(24-26-15)9-1-3-10(4-2-9)14(25)22-11-5-6-21-12(7-11)8-20/h1-7H,(H,21,22,25)
InChIKeyJDABOMNBVNHXEX-UHFFFAOYSA-N
MW359.27 g/mol
LogP3.27
Rot. Bonds3

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

N-(2-cyano-4-pyridinyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide (PubChem CID 71230781) has the molecular formula C16H8F3N5O2 and a molecular weight of 359.27 g/mol. Its IUPAC name is N-(2-cyano-4-pyridinyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide.

Molecular Properties

Compound NameN-(2-cyano-4-pyridinyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
PubChem CID71230781
Molecular FormulaC16H8F3N5O2
Molecular Weight359.27 g/mol
Exact Mass359.06
IUPAC NameN-(2-cyano-4-pyridinyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
SMILESN#Cc1cc(NC(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)ccn1
InChIInChI=1S/C16H8F3N5O2/c17-16(18,19)15-23-13(24-26-15)9-1-3-10(4-2-9)14(25)22-11-5-6-21-12(7-11)8-20/h1-7H,(H,21,22,25)
InChIKeyJDABOMNBVNHXEX-UHFFFAOYSA-N
XLogP3.27
TPSA104.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.27
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-4-pyridinyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The IUPAC name of N-(2-cyano-4-pyridinyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide (CID 71230781) is N-(2-cyano-4-pyridinyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide.
What is the SMILES notation for N-(2-cyano-4-pyridinyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The canonical SMILES for N-(2-cyano-4-pyridinyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide is N#Cc1cc(NC(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)ccn1.
What is the InChIKey of N-(2-cyano-4-pyridinyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The InChIKey is JDABOMNBVNHXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8F3N5O2/c17-16(18,19)15-23-13(24-26-15)9-1-3-10(4-2-9)14(25)22-11-5-6-21-12(7-11)8-20/h1-7H,(H,21,22,25).
What are the key properties of N-(2-cyano-4-pyridinyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
N-(2-cyano-4-pyridinyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide has a molecular weight of 359.27 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-4-pyridinyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide is sourced from PubChem (CID 71230781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).