1-pyridin-4-yl-N-[[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]methyl]methanamine

C17H15F3N4O — CID 56861728

IUPAC1-pyridin-4-yl-N-[[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]methyl]methanamine
SMILESFC(F)(F)c1cccc(Cc2noc(CNCc3ccncc3)n2)c1
InChIInChI=1S/C17H15F3N4O/c18-17(19,20)14-3-1-2-13(8-14)9-15-23-16(25-24-15)11-22-10-12-4-6-21-7-5-12/h1-8,22H,9-11H2
InChIKeyWHPGKJLSZYFXND-UHFFFAOYSA-N
MW348.33 g/mol
LogP3.36
Rot. Bonds6

About 1-pyridin-4-yl-N-[[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]methyl]methanamine

1-pyridin-4-yl-N-[[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]methyl]methanamine (PubChem CID 56861728) has the molecular formula C17H15F3N4O and a molecular weight of 348.33 g/mol. Its IUPAC name is 1-pyridin-4-yl-N-[[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]methyl]methanamine.

Molecular Properties

Compound Name1-pyridin-4-yl-N-[[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]methyl]methanamine
PubChem CID56861728
Molecular FormulaC17H15F3N4O
Molecular Weight348.33 g/mol
Exact Mass348.12
IUPAC Name1-pyridin-4-yl-N-[[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]methyl]methanamine
SMILESFC(F)(F)c1cccc(Cc2noc(CNCc3ccncc3)n2)c1
InChIInChI=1S/C17H15F3N4O/c18-17(19,20)14-3-1-2-13(8-14)9-15-23-16(25-24-15)11-22-10-12-4-6-21-7-5-12/h1-8,22H,9-11H2
InChIKeyWHPGKJLSZYFXND-UHFFFAOYSA-N
XLogP3.36
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.33
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-pyridin-4-yl-N-[[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]methyl]methanamine with MolForge

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Related Compounds

N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1-phenylmethanamine
CID 43663035
2-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]acetaldehyde
CID 115078816
2-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 60647921
2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine
CID 121010377
N-methyl-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 115078850
(2S)-N-(pyridin-4-ylmethyl)-1-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 42563452
5-[(3-methoxypiperidin-1-yl)methyl]-3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole
CID 45182318
pyrrolidin-1-yl-[1-[[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methanone
CID 25376306
N-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanamine
CID 1460717
4-[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one
CID 157478881
1-[[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 45226266
5-(3-ethoxycyclobutyl)-3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole
CID 126805916

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-4-yl-N-[[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]methyl]methanamine?
The IUPAC name of 1-pyridin-4-yl-N-[[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]methyl]methanamine (CID 56861728) is 1-pyridin-4-yl-N-[[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]methyl]methanamine.
What is the SMILES notation for 1-pyridin-4-yl-N-[[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]methyl]methanamine?
The canonical SMILES for 1-pyridin-4-yl-N-[[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]methyl]methanamine is FC(F)(F)c1cccc(Cc2noc(CNCc3ccncc3)n2)c1.
What is the InChIKey of 1-pyridin-4-yl-N-[[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]methyl]methanamine?
The InChIKey is WHPGKJLSZYFXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O/c18-17(19,20)14-3-1-2-13(8-14)9-15-23-16(25-24-15)11-22-10-12-4-6-21-7-5-12/h1-8,22H,9-11H2.
What are the key properties of 1-pyridin-4-yl-N-[[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]methyl]methanamine?
1-pyridin-4-yl-N-[[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]methyl]methanamine has a molecular weight of 348.33 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-4-yl-N-[[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]methyl]methanamine is sourced from PubChem (CID 56861728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).