N-[[6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]methyl]propanamide

C14H12F3N5O2 — CID 155193306

IUPACN-[[6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]methyl]propanamide
SMILESCCC(=O)NCc1cn2cc(-c3noc(C(F)(F)F)n3)ccc2n1
InChIInChI=1S/C14H12F3N5O2/c1-2-11(23)18-5-9-7-22-6-8(3-4-10(22)19-9)12-20-13(24-21-12)14(15,16)17/h3-4,6-7H,2,5H2,1H3,(H,18,23)
InChIKeySXPRCJRSPSJIFW-UHFFFAOYSA-N
MW339.28 g/mol
LogP2.43
Rot. Bonds4

About N-[[6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]methyl]propanamide

N-[[6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]methyl]propanamide (PubChem CID 155193306) has the molecular formula C14H12F3N5O2 and a molecular weight of 339.28 g/mol. Its IUPAC name is N-[[6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]methyl]propanamide.

Molecular Properties

Compound NameN-[[6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]methyl]propanamide
PubChem CID155193306
Molecular FormulaC14H12F3N5O2
Molecular Weight339.28 g/mol
Exact Mass339.09
IUPAC NameN-[[6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]methyl]propanamide
SMILESCCC(=O)NCc1cn2cc(-c3noc(C(F)(F)F)n3)ccc2n1
InChIInChI=1S/C14H12F3N5O2/c1-2-11(23)18-5-9-7-22-6-8(3-4-10(22)19-9)12-20-13(24-21-12)14(15,16)17/h3-4,6-7H,2,5H2,1H3,(H,18,23)
InChIKeySXPRCJRSPSJIFW-UHFFFAOYSA-N
XLogP2.43
TPSA85.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.28
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethane;6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridine-2-carboxylic acid
CID 142598078
N-[[2-ethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]propanamide
CID 135326209
N-[2-oxo-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]propanamide
CID 155192602
N-(methyl-oxo-phenyl-λ6-sulfanylidene)-2-[6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]acetamide
CID 162532721
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 91642422
N-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]propanamide
CID 129116524
(4-methoxyphenyl)methyl-methyl-oxo-[[6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]methylimino]-λ6-sulfane
CID 164518409
N-[(2-methoxyphenyl)-methyl-oxo-λ6-sulfanylidene]-2-[6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]acetamide
CID 162532654
N-methyl-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 71230676
3-[2-[(3-fluorophenyl)sulfanylmethyl]imidazo[1,2-a]pyridin-6-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 155708418
(2S)-2-methyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]butanamide
CID 155220226
N-[1-methoxy-1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]propanamide
CID 140911369

Frequently Asked Questions

What is the IUPAC name of N-[[6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]methyl]propanamide?
The IUPAC name of N-[[6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]methyl]propanamide (CID 155193306) is N-[[6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]methyl]propanamide.
What is the SMILES notation for N-[[6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]methyl]propanamide?
The canonical SMILES for N-[[6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]methyl]propanamide is CCC(=O)NCc1cn2cc(-c3noc(C(F)(F)F)n3)ccc2n1.
What is the InChIKey of N-[[6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]methyl]propanamide?
The InChIKey is SXPRCJRSPSJIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N5O2/c1-2-11(23)18-5-9-7-22-6-8(3-4-10(22)19-9)12-20-13(24-21-12)14(15,16)17/h3-4,6-7H,2,5H2,1H3,(H,18,23).
What are the key properties of N-[[6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]methyl]propanamide?
N-[[6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]methyl]propanamide has a molecular weight of 339.28 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]methyl]propanamide is sourced from PubChem (CID 155193306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).