N-methyl-2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine

C8H12F3N3O2 — CID 103472702

IUPACN-methyl-2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCNCCc1nc(COCC(F)(F)F)no1
InChIInChI=1S/C8H12F3N3O2/c1-12-3-2-7-13-6(14-16-7)4-15-5-8(9,10)11/h12H,2-5H2,1H3
InChIKeyXYALSLAEDDLBOR-UHFFFAOYSA-N
MW239.20 g/mol
LogP0.91
Rot. Bonds6

About N-methyl-2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine

N-methyl-2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 103472702) has the molecular formula C8H12F3N3O2 and a molecular weight of 239.20 g/mol. Its IUPAC name is N-methyl-2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID103472702
Molecular FormulaC8H12F3N3O2
Molecular Weight239.20 g/mol
Exact Mass239.09
IUPAC NameN-methyl-2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCNCCc1nc(COCC(F)(F)F)no1
InChIInChI=1S/C8H12F3N3O2/c1-12-3-2-7-13-6(14-16-7)4-15-5-8(9,10)11/h12H,2-5H2,1H3
InChIKeyXYALSLAEDDLBOR-UHFFFAOYSA-N
XLogP0.91
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.20
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(Ethoxymethyl)-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole;2,2,2-trifluoroacetic acid
CID 44457649
3-(Methoxymethyl)-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole;2,2,2-trifluoroacetic acid
CID 44457650
2-[3-(Methoxymethyl)-1,2,4-oxadiazol-5-yl]ethan-1-amine hydrochloride
CID 53433689
N-(2-methoxyethyl)-N'-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]urea
CID 91917577
2-[5-(Propan-2-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 75480798
3-methoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide
CID 91907152
N-{2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl}propanamide
CID 91917647
N-methyl-2-[5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 62342280
3-(1,1-Difluoropropoxymethyl)-5-propan-2-yl-1,2,4-oxadiazole
CID 68081667
1-[3-(2-Aminoethyl)-1,2,4-oxadiazol-5-yl]ethyl 2,2,2-trifluoroacetate
CID 68755162
N-methyl-2-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 70853552
2-(5-Methyl-1,2,4-oxadiazol-3-yl)morpholine
CID 71758669

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of N-methyl-2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine (CID 103472702) is N-methyl-2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for N-methyl-2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for N-methyl-2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine is CNCCc1nc(COCC(F)(F)F)no1.
What is the InChIKey of N-methyl-2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is XYALSLAEDDLBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3O2/c1-12-3-2-7-13-6(14-16-7)4-15-5-8(9,10)11/h12H,2-5H2,1H3.
What are the key properties of N-methyl-2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine?
N-methyl-2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 239.20 g/mol, XLogP of 0.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 103472702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).