2-[[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methylamino]acetamide

C8H11F3N4O3 — CID 107436837

IUPAC2-[[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methylamino]acetamide
SMILESNC(=O)CNCc1nc(COCC(F)(F)F)no1
InChIInChI=1S/C8H11F3N4O3/c9-8(10,11)4-17-3-6-14-7(18-15-6)2-13-1-5(12)16/h13H,1-4H2,(H2,12,16)
InChIKeyLIFQVHOATMJSFB-UHFFFAOYSA-N
MW268.19 g/mol
LogP-0.28
Rot. Bonds7

About 2-[[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methylamino]acetamide

2-[[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methylamino]acetamide (PubChem CID 107436837) has the molecular formula C8H11F3N4O3 and a molecular weight of 268.19 g/mol. Its IUPAC name is 2-[[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methylamino]acetamide.

Molecular Properties

Compound Name2-[[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methylamino]acetamide
PubChem CID107436837
Molecular FormulaC8H11F3N4O3
Molecular Weight268.19 g/mol
Exact Mass268.08
IUPAC Name2-[[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methylamino]acetamide
SMILESNC(=O)CNCc1nc(COCC(F)(F)F)no1
InChIInChI=1S/C8H11F3N4O3/c9-8(10,11)4-17-3-6-14-7(18-15-6)2-13-1-5(12)16/h13H,1-4H2,(H2,12,16)
InChIKeyLIFQVHOATMJSFB-UHFFFAOYSA-N
XLogP-0.28
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.19
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 104880637
N-[[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
CID 103472622
methyl 2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]acetate
CID 103473228
O-[[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]hydroxylamine
CID 103472753
N-[[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine
CID 103472697
2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylamino]acetamide
CID 107436449
2-ethyl-2-[[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid
CID 103473235
2-[[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methylamino]acetamide
CID 107436554
2-[(3-amino-1,2,4-oxadiazol-5-yl)methylamino]acetamide
CID 107436380
1-phenyl-2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]ethanone
CID 103476745
3-methyl-4-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]butanoic acid
CID 103473247
2-methyl-3-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104880602

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methylamino]acetamide?
The IUPAC name of 2-[[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methylamino]acetamide (CID 107436837) is 2-[[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methylamino]acetamide.
What is the SMILES notation for 2-[[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methylamino]acetamide?
The canonical SMILES for 2-[[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methylamino]acetamide is NC(=O)CNCc1nc(COCC(F)(F)F)no1.
What is the InChIKey of 2-[[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methylamino]acetamide?
The InChIKey is LIFQVHOATMJSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4O3/c9-8(10,11)4-17-3-6-14-7(18-15-6)2-13-1-5(12)16/h13H,1-4H2,(H2,12,16).
What are the key properties of 2-[[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methylamino]acetamide?
2-[[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methylamino]acetamide has a molecular weight of 268.19 g/mol, XLogP of -0.28, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methylamino]acetamide is sourced from PubChem (CID 107436837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).