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

C11H9F3N4O2 — CID 129116524

IUPACN-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]propanamide
SMILESCCC(=O)Nc1ccc(-c2noc(C(F)(F)F)n2)cn1
InChIInChI=1S/C11H9F3N4O2/c1-2-8(19)16-7-4-3-6(5-15-7)9-17-10(20-18-9)11(12,13)14/h3-5H,2H2,1H3,(H,15,16,19)
InChIKeyNOEIDEBWEQUOJB-UHFFFAOYSA-N
MW286.21 g/mol
LogP2.50
Rot. Bonds3

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

N-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]propanamide (PubChem CID 129116524) has the molecular formula C11H9F3N4O2 and a molecular weight of 286.21 g/mol. Its IUPAC name is N-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]propanamide.

Molecular Properties

Compound NameN-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]propanamide
PubChem CID129116524
Molecular FormulaC11H9F3N4O2
Molecular Weight286.21 g/mol
Exact Mass286.07
IUPAC NameN-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]propanamide
SMILESCCC(=O)Nc1ccc(-c2noc(C(F)(F)F)n2)cn1
InChIInChI=1S/C11H9F3N4O2/c1-2-8(19)16-7-4-3-6(5-15-7)9-17-10(20-18-9)11(12,13)14/h3-5H,2H2,1H3,(H,15,16,19)
InChIKeyNOEIDEBWEQUOJB-UHFFFAOYSA-N
XLogP2.50
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N',N'-dimethyl-N-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]oxamide
CID 137366751
N-[2-oxo-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]propanamide
CID 155192602
N-methoxy-2-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]acetamide
CID 158004258
N-[[2-ethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]propanamide
CID 135326209
N-methyl-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 71230676
N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 19847727
N-[3-hydroxy-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]propanamide
CID 153313566
N-[1-methoxy-1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]propanamide
CID 140911369
N-[5-[5-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]propanamide
CID 170108236
3-(6-fluoro-3-pyridinyl)-5-(trifluoromethyl)-1,2,4-oxadiazole;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate
CID 159589832
N-[[6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]methyl]propanamide
CID 155193306
1-(4-fluorophenyl)-3-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methyl]urea
CID 151255198

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]propanamide?
The IUPAC name of N-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]propanamide (CID 129116524) is N-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]propanamide.
What is the SMILES notation for N-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]propanamide?
The canonical SMILES for N-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]propanamide is CCC(=O)Nc1ccc(-c2noc(C(F)(F)F)n2)cn1.
What is the InChIKey of N-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]propanamide?
The InChIKey is NOEIDEBWEQUOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4O2/c1-2-8(19)16-7-4-3-6(5-15-7)9-17-10(20-18-9)11(12,13)14/h3-5H,2H2,1H3,(H,15,16,19).
What are the key properties of N-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]propanamide?
N-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]propanamide has a molecular weight of 286.21 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]propanamide is sourced from PubChem (CID 129116524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).