N-(1,2-oxazol-3-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine

C15H17F3N4O — CID 86283936

IUPACN-(1,2-oxazol-3-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine
SMILESFC(F)(F)c1ccc(N2CCC(NCc3ccon3)CC2)nc1
InChIInChI=1S/C15H17F3N4O/c16-15(17,18)11-1-2-14(20-9-11)22-6-3-12(4-7-22)19-10-13-5-8-23-21-13/h1-2,5,8-9,12,19H,3-4,6-7,10H2
InChIKeyQHQBAQLIROSXDY-UHFFFAOYSA-N
MW326.32 g/mol
LogP2.85
Rot. Bonds4

About N-(1,2-oxazol-3-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine

N-(1,2-oxazol-3-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine (PubChem CID 86283936) has the molecular formula C15H17F3N4O and a molecular weight of 326.32 g/mol. Its IUPAC name is N-(1,2-oxazol-3-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine.

Molecular Properties

Compound NameN-(1,2-oxazol-3-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine
PubChem CID86283936
Molecular FormulaC15H17F3N4O
Molecular Weight326.32 g/mol
Exact Mass326.14
IUPAC NameN-(1,2-oxazol-3-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine
SMILESFC(F)(F)c1ccc(N2CCC(NCc3ccon3)CC2)nc1
InChIInChI=1S/C15H17F3N4O/c16-15(17,18)11-1-2-14(20-9-11)22-6-3-12(4-7-22)19-10-13-5-8-23-21-13/h1-2,5,8-9,12,19H,3-4,6-7,10H2
InChIKeyQHQBAQLIROSXDY-UHFFFAOYSA-N
XLogP2.85
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine
CID 119111040
N-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]cyclopropanamine
CID 62592662
N-(1-benzofuran-2-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine
CID 119111019
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine
CID 87635860
[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]azanium
CID 28873857
4-(trifluoromethyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide
CID 46475049
N-[(3S)-thiolan-3-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine
CID 97194477
1-(5-tert-butyl-2-pyridinyl)-N-ethylpiperidin-4-amine
CID 107874233
2-[(3R)-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)pyridine
CID 59059706
N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 46968579
1-(5-tert-butyl-2-pyridinyl)-N-propylpiperidin-4-amine
CID 107874234
1-cyclopropyl-N-(1,2-oxazol-3-ylmethyl)pyrrolidin-3-amine
CID 81170847

Frequently Asked Questions

What is the IUPAC name of N-(1,2-oxazol-3-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine?
The IUPAC name of N-(1,2-oxazol-3-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine (CID 86283936) is N-(1,2-oxazol-3-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine.
What is the SMILES notation for N-(1,2-oxazol-3-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine?
The canonical SMILES for N-(1,2-oxazol-3-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine is FC(F)(F)c1ccc(N2CCC(NCc3ccon3)CC2)nc1.
What is the InChIKey of N-(1,2-oxazol-3-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine?
The InChIKey is QHQBAQLIROSXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4O/c16-15(17,18)11-1-2-14(20-9-11)22-6-3-12(4-7-22)19-10-13-5-8-23-21-13/h1-2,5,8-9,12,19H,3-4,6-7,10H2.
What are the key properties of N-(1,2-oxazol-3-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine?
N-(1,2-oxazol-3-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine has a molecular weight of 326.32 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-oxazol-3-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine is sourced from PubChem (CID 86283936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).