N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide

C20H13F3N4O3 — CID 86263843

IUPACN-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1Cc1nc(-c2ccco2)no1)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C20H13F3N4O3/c21-20(22,23)16-8-7-13(11-24-16)19(28)25-14-5-2-1-4-12(14)10-17-26-18(27-30-17)15-6-3-9-29-15/h1-9,11H,10H2,(H,25,28)
InChIKeyGRCCEBRNKFGBSR-UHFFFAOYSA-N
MW414.34 g/mol
LogP4.59
Rot. Bonds5

About N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide

N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 86263843) has the molecular formula C20H13F3N4O3 and a molecular weight of 414.34 g/mol. Its IUPAC name is N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID86263843
Molecular FormulaC20H13F3N4O3
Molecular Weight414.34 g/mol
Exact Mass414.09
IUPAC NameN-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1Cc1nc(-c2ccco2)no1)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C20H13F3N4O3/c21-20(22,23)16-8-7-13(11-24-16)19(28)25-14-5-2-1-4-12(14)10-17-26-18(27-30-17)15-6-3-9-29-15/h1-9,11H,10H2,(H,25,28)
InChIKeyGRCCEBRNKFGBSR-UHFFFAOYSA-N
XLogP4.59
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.34
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 86263843) is N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide is O=C(Nc1ccccc1Cc1nc(-c2ccco2)no1)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is GRCCEBRNKFGBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N4O3/c21-20(22,23)16-8-7-13(11-24-16)19(28)25-14-5-2-1-4-12(14)10-17-26-18(27-30-17)15-6-3-9-29-15/h1-9,11H,10H2,(H,25,28).
What are the key properties of N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 414.34 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 86263843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).