1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-methylmethanamine;2,2,2-trifluoroacetic acid

C9H14F3N3O4 — CID 75530723

IUPAC1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-methylmethanamine;2,2,2-trifluoroacetic acid
SMILESCNCc1nc(CCOC)no1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H13N3O2.C2HF3O2/c1-8-5-7-9-6(10-12-7)3-4-11-2;3-2(4,5)1(6)7/h8H,3-5H2,1-2H3;(H,6,7)
InChIKeyQAZFMEWVDAETEI-UHFFFAOYSA-N
MW285.22 g/mol
LogP0.61
Rot. Bonds5

About 1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-methylmethanamine;2,2,2-trifluoroacetic acid

1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-methylmethanamine;2,2,2-trifluoroacetic acid (PubChem CID 75530723) has the molecular formula C9H14F3N3O4 and a molecular weight of 285.22 g/mol. Its IUPAC name is 1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-methylmethanamine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-methylmethanamine;2,2,2-trifluoroacetic acid
PubChem CID75530723
Molecular FormulaC9H14F3N3O4
Molecular Weight285.22 g/mol
Exact Mass285.09
IUPAC Name1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-methylmethanamine;2,2,2-trifluoroacetic acid
SMILESCNCc1nc(CCOC)no1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H13N3O2.C2HF3O2/c1-8-5-7-9-6(10-12-7)3-4-11-2;3-2(4,5)1(6)7/h8H,3-5H2,1-2H3;(H,6,7)
InChIKeyQAZFMEWVDAETEI-UHFFFAOYSA-N
XLogP0.61
TPSA97.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.22
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-1-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 103145886
N-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methanamine;bis(2,2,2-trifluoroacetic acid)
CID 75530724
N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazole-4-carboxamide
CID 122556515
5-(methylaminomethyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 55252728
ethyl 2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]acetate
CID 79475312
2,4,5-trifluoro-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 84599390
4,4,4-trifluoro-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]butanamide
CID 91762217
1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxylic acid
CID 61412293
2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 61412753
N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-phenylcyclohexane-1-carboxamide
CID 118787223
(1S,3S,4S)-3-amino-4-hydroxy-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxamide
CID 154820587
N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-sulfonamide
CID 122560921

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-methylmethanamine;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-methylmethanamine;2,2,2-trifluoroacetic acid (CID 75530723) is 1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-methylmethanamine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-methylmethanamine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-methylmethanamine;2,2,2-trifluoroacetic acid is CNCc1nc(CCOC)no1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-methylmethanamine;2,2,2-trifluoroacetic acid?
The InChIKey is QAZFMEWVDAETEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2.C2HF3O2/c1-8-5-7-9-6(10-12-7)3-4-11-2;3-2(4,5)1(6)7/h8H,3-5H2,1-2H3;(H,6,7).
What are the key properties of 1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-methylmethanamine;2,2,2-trifluoroacetic acid?
1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-methylmethanamine;2,2,2-trifluoroacetic acid has a molecular weight of 285.22 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-methylmethanamine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 75530723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).