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

C21H19F3N2O5 — CID 171557524

IUPAC(2R,3R,4S,5R,6S)-2-methyl-6-(3-phenyl-1,2-oxazol-5-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol
SMILESC[C@H]1O[C@H](c2cc(-c3ccccc3)no2)[C@H](Oc2cccc(C(F)(F)F)n2)[C@@H](O)[C@H]1O
InChIInChI=1S/C21H19F3N2O5/c1-11-17(27)18(28)20(30-16-9-5-8-15(25-16)21(22,23)24)19(29-11)14-10-13(26-31-14)12-6-3-2-4-7-12/h2-11,17-20,27-28H,1H3/t11-,17+,18+,19-,20-/m1/s1
InChIKeyIZINVZHSGWJIHX-YDMVOOKBSA-N
MW436.39 g/mol
LogP3.38
Rot. Bonds4

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

(2R,3R,4S,5R,6S)-2-methyl-6-(3-phenyl-1,2-oxazol-5-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol (PubChem CID 171557524) has the molecular formula C21H19F3N2O5 and a molecular weight of 436.39 g/mol. Its IUPAC name is (2R,3R,4S,5R,6S)-2-methyl-6-(3-phenyl-1,2-oxazol-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-oxazol-5-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol
PubChem CID171557524
Molecular FormulaC21H19F3N2O5
Molecular Weight436.39 g/mol
Exact Mass436.12
IUPAC Name(2R,3R,4S,5R,6S)-2-methyl-6-(3-phenyl-1,2-oxazol-5-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol
SMILESC[C@H]1O[C@H](c2cc(-c3ccccc3)no2)[C@H](Oc2cccc(C(F)(F)F)n2)[C@@H](O)[C@H]1O
InChIInChI=1S/C21H19F3N2O5/c1-11-17(27)18(28)20(30-16-9-5-8-15(25-16)21(22,23)24)19(29-11)14-10-13(26-31-14)12-6-3-2-4-7-12/h2-11,17-20,27-28H,1H3/t11-,17+,18+,19-,20-/m1/s1
InChIKeyIZINVZHSGWJIHX-YDMVOOKBSA-N
XLogP3.38
TPSA97.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.39
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Launch Full Analysis

Related Compounds

2-Methyl-6-(5-methyl-3-phenyl-isoxazol-4-ylmethoxy)-pyridine
CID 57519831
3-{6-[3-(4-Fluoro-phenyl)-5-methyl-isoxazol-4-ylmethoxy]-pyridin-3-yl}-oxetan-3-ol
CID 57520268
5-[Methoxy-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]phenyl]methyl]-3-methyl-1,2-oxazole
CID 76334765
5-[4-Ethoxy-2-phenyl-6-(trifluoromethyl)-3-pyridinyl]-3-methyl-1,2-oxazole
CID 11791988
[3-(2-Methoxyphenyl)-1,2-oxazol-5-yl]methyl 2-methyl-6-(trifluoromethyl)pyridine-3-carboxylate
CID 38349114
[5-(Phenoxymethyl)-3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
CID 59674945
[5-(Phenoxymethyl)-3-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
CID 59675015
6-[3-(4-Fluoro-phenyl)-5-hydroxymethyl-isoxazol-4-ylmethoxy]-nicotinic acid methyl ester
CID 66718131
6-[3-(3,4-Difluoro-phenyl)-5-hydroxymethyl-isoxazol-4-ylmethoxy]-nicotinic acid methyl ester
CID 66718164
6-[3-(3,4-Difluoro-phenyl)-5-hydroxymethyl-isoxazol-4-ylmethoxy]-nicotinic acid
CID 66718168
(2R)-2-[[6-[3-[3-(aminomethyl)phenyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)phenoxy]-3,5-difluoro-2-pyridinyl]oxy]butanoic acid
CID 69496677
2-[[6-[3-[3-(Aminomethyl)phenyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)phenoxy]-3,5-difluoro-2-pyridinyl]oxy]butanoic acid
CID 69496682

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R,6S)-2-methyl-6-(3-phenyl-1,2-oxazol-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-oxazol-5-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol (CID 171557524) is (2R,3R,4S,5R,6S)-2-methyl-6-(3-phenyl-1,2-oxazol-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-oxazol-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-oxazol-5-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol is C[C@H]1O[C@H](c2cc(-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-oxazol-5-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol?
The InChIKey is IZINVZHSGWJIHX-YDMVOOKBSA-N. The full InChI is InChI=1S/C21H19F3N2O5/c1-11-17(27)18(28)20(30-16-9-5-8-15(25-16)21(22,23)24)19(29-11)14-10-13(26-31-14)12-6-3-2-4-7-12/h2-11,17-20,27-28H,1H3/t11-,17+,18+,19-,20-/m1/s1.
What are the key properties of (2R,3R,4S,5R,6S)-2-methyl-6-(3-phenyl-1,2-oxazol-5-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol?
(2R,3R,4S,5R,6S)-2-methyl-6-(3-phenyl-1,2-oxazol-5-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol has a molecular weight of 436.39 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R,6S)-2-methyl-6-(3-phenyl-1,2-oxazol-5-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol is sourced from PubChem (CID 171557524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).