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

C9H10F3N5O — CID 82895635

IUPAC2,2,2-trifluoro-N-[[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
SMILESCn1cncc1-c1noc(CNCC(F)(F)F)n1
InChIInChI=1S/C9H10F3N5O/c1-17-5-14-2-6(17)8-15-7(18-16-8)3-13-4-9(10,11)12/h2,5,13H,3-4H2,1H3
InChIKeyWKFFJPQONPTCCP-UHFFFAOYSA-N
MW261.21 g/mol
LogP1.12
Rot. Bonds4

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

2,2,2-trifluoro-N-[[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine (PubChem CID 82895635) has the molecular formula C9H10F3N5O and a molecular weight of 261.21 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
PubChem CID82895635
Molecular FormulaC9H10F3N5O
Molecular Weight261.21 g/mol
Exact Mass261.08
IUPAC Name2,2,2-trifluoro-N-[[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
SMILESCn1cncc1-c1noc(CNCC(F)(F)F)n1
InChIInChI=1S/C9H10F3N5O/c1-17-5-14-2-6(17)8-15-7(18-16-8)3-13-4-9(10,11)12/h2,5,13H,3-4H2,1H3
InChIKeyWKFFJPQONPTCCP-UHFFFAOYSA-N
XLogP1.12
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.21
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2,2,2-trifluoro-N-[[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine with MolForge

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Related Compounds

N-(5-(5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl)pyrazin-2-yl)acetamide
CID 71576962
3-(pyrazin-2-yl)-N-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole-5-carboxamide
CID 49670420
1-(1-isopropyl-1H-imidazol-5-yl)-N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 74247461
N-[(1-ethyl-1H-imidazol-5-yl)methyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 91837460
N-ethyl-N'-[(1-ethyl-1H-imidazol-5-yl)methyl]-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 122561878
N'-[(1-cyclopropyl-1H-imidazol-5-yl)methyl]-N-[(3-isobutyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylurea formate
CID 129610193
(3-Methylimidazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 66117968
(3-Propylimidazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 66131234
(3-Ethylimidazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 66134944
(3-Cyclopropylimidazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 66142266
(3-Propan-2-ylimidazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 66163638
2,2,2-trifluoro-N-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 79257687

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine (CID 82895635) is 2,2,2-trifluoro-N-[[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine is Cn1cncc1-c1noc(CNCC(F)(F)F)n1.
What is the InChIKey of 2,2,2-trifluoro-N-[[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine?
The InChIKey is WKFFJPQONPTCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N5O/c1-17-5-14-2-6(17)8-15-7(18-16-8)3-13-4-9(10,11)12/h2,5,13H,3-4H2,1H3.
What are the key properties of 2,2,2-trifluoro-N-[[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine?
2,2,2-trifluoro-N-[[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine has a molecular weight of 261.21 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 82895635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).