[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methanamine;2,2,2-trifluoroacetic acid

C14H13F3N4O3 — CID 14810833

IUPAC[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methanamine;2,2,2-trifluoroacetic acid
SMILESCn1cc(-c2noc(CN)n2)c2ccccc21.O=C(O)C(F)(F)F
InChIInChI=1S/C12H12N4O.C2HF3O2/c1-16-7-9(8-4-2-3-5-10(8)16)12-14-11(6-13)17-15-12;3-2(4,5)1(6)7/h2-5,7H,6,13H2,1H3;(H,6,7)
InChIKeyHOWQHYMLKBERJZ-UHFFFAOYSA-N
MW342.28 g/mol
LogP2.32
Rot. Bonds2

About [3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methanamine;2,2,2-trifluoroacetic acid

[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methanamine;2,2,2-trifluoroacetic acid (PubChem CID 14810833) has the molecular formula C14H13F3N4O3 and a molecular weight of 342.28 g/mol. Its IUPAC name is [3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methanamine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methanamine;2,2,2-trifluoroacetic acid
PubChem CID14810833
Molecular FormulaC14H13F3N4O3
Molecular Weight342.28 g/mol
Exact Mass342.09
IUPAC Name[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methanamine;2,2,2-trifluoroacetic acid
SMILESCn1cc(-c2noc(CN)n2)c2ccccc21.O=C(O)C(F)(F)F
InChIInChI=1S/C12H12N4O.C2HF3O2/c1-16-7-9(8-4-2-3-5-10(8)16)12-14-11(6-13)17-15-12;3-2(4,5)1(6)7/h2-5,7H,6,13H2,1H3;(H,6,7)
InChIKeyHOWQHYMLKBERJZ-UHFFFAOYSA-N
XLogP2.32
TPSA107.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methanamine;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

Trimethyl-[[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]azanium iodide
CID 9978162
3-(1-Methylindol-3-yl)-5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazole
CID 9818162
N,N-dimethyl-1-[3-(1-methyl-3-indolyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 9921349
(3-Imidazol-1-ylmethyl-indol-1-yl)-acetic acid
CID 13594154
3-(1-Methylindol-3-yl)-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 14810798
5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole
CID 14810800
[3-(1-Methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 14810832
3-(1-Methylindol-3-yl)-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole
CID 14810834
N-methyl-1-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 14810842
2-[3-(1-Methylindol-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 14810844
N-methyl-2-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 14810846
N,N-dimethyl-2-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 14810848

Frequently Asked Questions

What is the IUPAC name of [3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methanamine;2,2,2-trifluoroacetic acid?
The IUPAC name of [3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methanamine;2,2,2-trifluoroacetic acid (CID 14810833) is [3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methanamine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for [3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methanamine;2,2,2-trifluoroacetic acid?
The canonical SMILES for [3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methanamine;2,2,2-trifluoroacetic acid is Cn1cc(-c2noc(CN)n2)c2ccccc21.O=C(O)C(F)(F)F.
What is the InChIKey of [3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methanamine;2,2,2-trifluoroacetic acid?
The InChIKey is HOWQHYMLKBERJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O.C2HF3O2/c1-16-7-9(8-4-2-3-5-10(8)16)12-14-11(6-13)17-15-12;3-2(4,5)1(6)7/h2-5,7H,6,13H2,1H3;(H,6,7).
What are the key properties of [3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methanamine;2,2,2-trifluoroacetic acid?
[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methanamine;2,2,2-trifluoroacetic acid has a molecular weight of 342.28 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methanamine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 14810833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).