4-[3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyridine-2-carboxamide

C15H9F3N4O2 — CID 166325517

IUPAC4-[3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyridine-2-carboxamide
SMILESNC(=O)c1cc(-c2nc(-c3ccccc3C(F)(F)F)no2)ccn1
InChIInChI=1S/C15H9F3N4O2/c16-15(17,18)10-4-2-1-3-9(10)13-21-14(24-22-13)8-5-6-20-11(7-8)12(19)23/h1-7H,(H2,19,23)
InChIKeyCSTCVZKIVNVCGO-UHFFFAOYSA-N
MW334.26 g/mol
LogP2.92
Rot. Bonds3

About 4-[3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyridine-2-carboxamide

4-[3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyridine-2-carboxamide (PubChem CID 166325517) has the molecular formula C15H9F3N4O2 and a molecular weight of 334.26 g/mol. Its IUPAC name is 4-[3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyridine-2-carboxamide
PubChem CID166325517
Molecular FormulaC15H9F3N4O2
Molecular Weight334.26 g/mol
Exact Mass334.07
IUPAC Name4-[3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyridine-2-carboxamide
SMILESNC(=O)c1cc(-c2nc(-c3ccccc3C(F)(F)F)no2)ccn1
InChIInChI=1S/C15H9F3N4O2/c16-15(17,18)10-4-2-1-3-9(10)13-21-14(24-22-13)8-5-6-20-11(7-8)12(19)23/h1-7H,(H2,19,23)
InChIKeyCSTCVZKIVNVCGO-UHFFFAOYSA-N
XLogP2.92
TPSA94.90 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 ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]benzoic acid
CID 97057770
4-[2-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid
CID 53223943
4-[5-fluoro-2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 123325760
2-[3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]acetic acid
CID 115081827
1-[3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 102548777
4-[2-(trifluoromethyl)phenoxy]pyridine-2-carboxamide
CID 123767237
4-[2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]benzoic acid
CID 11493928
4-[N-methyl-2-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 123368878
2-[3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethanol
CID 115080368
4-[5-[4-methyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine
CID 25110246
3-bromo-5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 112571512
1-[4-[5-[3-methyl-4-[2-(trifluoromethyl)phenyl]phenyl]-1,2,4-oxadiazol-3-yl]phenyl]ethanamine
CID 66652647

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyridine-2-carboxamide?
The IUPAC name of 4-[3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyridine-2-carboxamide (CID 166325517) is 4-[3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyridine-2-carboxamide.
What is the SMILES notation for 4-[3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyridine-2-carboxamide?
The canonical SMILES for 4-[3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyridine-2-carboxamide is NC(=O)c1cc(-c2nc(-c3ccccc3C(F)(F)F)no2)ccn1.
What is the InChIKey of 4-[3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyridine-2-carboxamide?
The InChIKey is CSTCVZKIVNVCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N4O2/c16-15(17,18)10-4-2-1-3-9(10)13-21-14(24-22-13)8-5-6-20-11(7-8)12(19)23/h1-7H,(H2,19,23).
What are the key properties of 4-[3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyridine-2-carboxamide?
4-[3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyridine-2-carboxamide has a molecular weight of 334.26 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyridine-2-carboxamide is sourced from PubChem (CID 166325517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).