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

C20H18F3N3O5 — CID 171557079

IUPAC(2R,3R,4S,5R,6S)-2-methyl-6-(3-phenyl-1,2,4-oxadiazol-5-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol
SMILESC[C@H]1O[C@H](c2nc(-c3ccccc3)no2)[C@H](Oc2cccc(C(F)(F)F)n2)[C@@H](O)[C@H]1O
InChIInChI=1S/C20H18F3N3O5/c1-10-14(27)15(28)16(30-13-9-5-8-12(24-13)20(21,22)23)17(29-10)19-25-18(26-31-19)11-6-3-2-4-7-11/h2-10,14-17,27-28H,1H3/t10-,14+,15+,16-,17+/m1/s1
InChIKeyPBLIEJMOOMECOW-BDNDHPQMSA-N
MW437.37 g/mol
LogP2.78
Rot. Bonds4

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

(2R,3R,4S,5R,6S)-2-methyl-6-(3-phenyl-1,2,4-oxadiazol-5-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol (PubChem CID 171557079) has the molecular formula C20H18F3N3O5 and a molecular weight of 437.37 g/mol. Its IUPAC name is (2R,3R,4S,5R,6S)-2-methyl-6-(3-phenyl-1,2,4-oxadiazol-5-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4S,5R,6S)-2-methyl-6-(3-phenyl-1,2,4-oxadiazol-5-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol
PubChem CID171557079
Molecular FormulaC20H18F3N3O5
Molecular Weight437.37 g/mol
Exact Mass437.12
IUPAC Name(2R,3R,4S,5R,6S)-2-methyl-6-(3-phenyl-1,2,4-oxadiazol-5-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol
SMILESC[C@H]1O[C@H](c2nc(-c3ccccc3)no2)[C@H](Oc2cccc(C(F)(F)F)n2)[C@@H](O)[C@H]1O
InChIInChI=1S/C20H18F3N3O5/c1-10-14(27)15(28)16(30-13-9-5-8-12(24-13)20(21,22)23)17(29-10)19-25-18(26-31-19)11-6-3-2-4-7-11/h2-10,14-17,27-28H,1H3/t10-,14+,15+,16-,17+/m1/s1
InChIKeyPBLIEJMOOMECOW-BDNDHPQMSA-N
XLogP2.78
TPSA110.73 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.37
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (2R,3R,4S,5R,6S)-2-methyl-6-(3-phenyl-1,2,4-oxadiazol-5-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol with MolForge

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Related Compounds

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[3-(4-phenylmethoxyphenyl)-1,2,4-oxadiazol-5-yl]oxane-3,4,5-triol
CID 45271703
3-[(6-ethoxy-2-pyridinyl)methyl]-5-[(3S)-3-methoxyoxolan-3-yl]-1,2,4-oxadiazole
CID 164629346
5-[(3aS,4R,6S,7R,7aR)-2,2,4-trimethyl-7-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]-3-phenyl-1,2,4-oxadiazole
CID 171556687
(3S,4S,5S)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol
CID 171556898
4-[3-[(6-Ethoxypyridin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]oxan-4-ol
CID 137984884

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R,6S)-2-methyl-6-(3-phenyl-1,2,4-oxadiazol-5-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol?
The IUPAC name of (2R,3R,4S,5R,6S)-2-methyl-6-(3-phenyl-1,2,4-oxadiazol-5-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol (CID 171557079) is (2R,3R,4S,5R,6S)-2-methyl-6-(3-phenyl-1,2,4-oxadiazol-5-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol.
What is the SMILES notation for (2R,3R,4S,5R,6S)-2-methyl-6-(3-phenyl-1,2,4-oxadiazol-5-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol?
The canonical SMILES for (2R,3R,4S,5R,6S)-2-methyl-6-(3-phenyl-1,2,4-oxadiazol-5-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol is C[C@H]1O[C@H](c2nc(-c3ccccc3)no2)[C@H](Oc2cccc(C(F)(F)F)n2)[C@@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4S,5R,6S)-2-methyl-6-(3-phenyl-1,2,4-oxadiazol-5-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol?
The InChIKey is PBLIEJMOOMECOW-BDNDHPQMSA-N. The full InChI is InChI=1S/C20H18F3N3O5/c1-10-14(27)15(28)16(30-13-9-5-8-12(24-13)20(21,22)23)17(29-10)19-25-18(26-31-19)11-6-3-2-4-7-11/h2-10,14-17,27-28H,1H3/t10-,14+,15+,16-,17+/m1/s1.
What are the key properties of (2R,3R,4S,5R,6S)-2-methyl-6-(3-phenyl-1,2,4-oxadiazol-5-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol?
(2R,3R,4S,5R,6S)-2-methyl-6-(3-phenyl-1,2,4-oxadiazol-5-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol has a molecular weight of 437.37 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R,6S)-2-methyl-6-(3-phenyl-1,2,4-oxadiazol-5-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol is sourced from PubChem (CID 171557079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).