(3S,4S,5S)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol

C19H17F3N4O4 — CID 171556898

IUPAC(3S,4S,5S)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol
SMILESO[C@@H]1[C@@H](Oc2cccc(C(F)(F)F)n2)CN(c2noc(-c3ccccc3)n2)C[C@@H]1O
InChIInChI=1S/C19H17F3N4O4/c20-19(21,22)14-7-4-8-15(23-14)29-13-10-26(9-12(27)16(13)28)18-24-17(30-25-18)11-5-2-1-3-6-11/h1-8,12-13,16,27-28H,9-10H2/t12-,13-,16-/m0/s1
InChIKeyCXFTYCDJFXTOQF-XEZPLFJOSA-N
MW422.36 g/mol
LogP2.14
Rot. Bonds4

About (3S,4S,5S)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol

(3S,4S,5S)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol (PubChem CID 171556898) has the molecular formula C19H17F3N4O4 and a molecular weight of 422.36 g/mol. Its IUPAC name is (3S,4S,5S)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol.

Molecular Properties

Compound Name(3S,4S,5S)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol
PubChem CID171556898
Molecular FormulaC19H17F3N4O4
Molecular Weight422.36 g/mol
Exact Mass422.12
IUPAC Name(3S,4S,5S)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol
SMILESO[C@@H]1[C@@H](Oc2cccc(C(F)(F)F)n2)CN(c2noc(-c3ccccc3)n2)C[C@@H]1O
InChIInChI=1S/C19H17F3N4O4/c20-19(21,22)14-7-4-8-15(23-14)29-13-10-26(9-12(27)16(13)28)18-24-17(30-25-18)11-5-2-1-3-6-11/h1-8,12-13,16,27-28H,9-10H2/t12-,13-,16-/m0/s1
InChIKeyCXFTYCDJFXTOQF-XEZPLFJOSA-N
XLogP2.14
TPSA104.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.36
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (3S,4S,5S)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol?
The IUPAC name of (3S,4S,5S)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol (CID 171556898) is (3S,4S,5S)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol.
What is the SMILES notation for (3S,4S,5S)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol?
The canonical SMILES for (3S,4S,5S)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol is O[C@@H]1[C@@H](Oc2cccc(C(F)(F)F)n2)CN(c2noc(-c3ccccc3)n2)C[C@@H]1O.
What is the InChIKey of (3S,4S,5S)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol?
The InChIKey is CXFTYCDJFXTOQF-XEZPLFJOSA-N. The full InChI is InChI=1S/C19H17F3N4O4/c20-19(21,22)14-7-4-8-15(23-14)29-13-10-26(9-12(27)16(13)28)18-24-17(30-25-18)11-5-2-1-3-6-11/h1-8,12-13,16,27-28H,9-10H2/t12-,13-,16-/m0/s1.
What are the key properties of (3S,4S,5S)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol?
(3S,4S,5S)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol has a molecular weight of 422.36 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,5S)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol is sourced from PubChem (CID 171556898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).