(R)-(1,3-dimethylazetidin-3-yl)-[5-(1,2,4-oxadiazol-3-yl)-3-pyridinyl]-[4-(2,2,2-trifluoroethyl)phenyl]methanol

C21H21F3N4O2 — CID 175864654

IUPAC(R)-(1,3-dimethylazetidin-3-yl)-[5-(1,2,4-oxadiazol-3-yl)-3-pyridinyl]-[4-(2,2,2-trifluoroethyl)phenyl]methanol
SMILESCN1CC(C)([C@](O)(c2ccc(CC(F)(F)F)cc2)c2cncc(-c3ncon3)c2)C1
InChIInChI=1S/C21H21F3N4O2/c1-19(11-28(2)12-19)21(29,16-5-3-14(4-6-16)8-20(22,23)24)17-7-15(9-25-10-17)18-26-13-30-27-18/h3-7,9-10,13,29H,8,11-12H2,1-2H3/t21-/m0/s1
InChIKeyDDAXXPVSEGOVHY-NRFANRHFSA-N
MW418.42 g/mol
LogP3.42
Rot. Bonds5

About (R)-(1,3-dimethylazetidin-3-yl)-[5-(1,2,4-oxadiazol-3-yl)-3-pyridinyl]-[4-(2,2,2-trifluoroethyl)phenyl]methanol

(R)-(1,3-dimethylazetidin-3-yl)-[5-(1,2,4-oxadiazol-3-yl)-3-pyridinyl]-[4-(2,2,2-trifluoroethyl)phenyl]methanol (PubChem CID 175864654) has the molecular formula C21H21F3N4O2 and a molecular weight of 418.42 g/mol. Its IUPAC name is (R)-(1,3-dimethylazetidin-3-yl)-[5-(1,2,4-oxadiazol-3-yl)-3-pyridinyl]-[4-(2,2,2-trifluoroethyl)phenyl]methanol.

Molecular Properties

Compound Name(R)-(1,3-dimethylazetidin-3-yl)-[5-(1,2,4-oxadiazol-3-yl)-3-pyridinyl]-[4-(2,2,2-trifluoroethyl)phenyl]methanol
PubChem CID175864654
Molecular FormulaC21H21F3N4O2
Molecular Weight418.42 g/mol
Exact Mass418.16
IUPAC Name(R)-(1,3-dimethylazetidin-3-yl)-[5-(1,2,4-oxadiazol-3-yl)-3-pyridinyl]-[4-(2,2,2-trifluoroethyl)phenyl]methanol
SMILESCN1CC(C)([C@](O)(c2ccc(CC(F)(F)F)cc2)c2cncc(-c3ncon3)c2)C1
InChIInChI=1S/C21H21F3N4O2/c1-19(11-28(2)12-19)21(29,16-5-3-14(4-6-16)8-20(22,23)24)17-7-15(9-25-10-17)18-26-13-30-27-18/h3-7,9-10,13,29H,8,11-12H2,1-2H3/t21-/m0/s1
InChIKeyDDAXXPVSEGOVHY-NRFANRHFSA-N
XLogP3.42
TPSA75.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.42
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (R)-(1,3-dimethylazetidin-3-yl)-[5-(1,2,4-oxadiazol-3-yl)-3-pyridinyl]-[4-(2,2,2-trifluoroethyl)phenyl]methanol with MolForge

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Related Compounds

3-[(R)-hydroxy-[5-(1,2,4-oxadiazol-3-yl)-3-pyridinyl]-(4-propan-2-ylphenyl)methyl]-3-methylazetidine-1-carboxylic acid
CID 168861462
2-[3-[5-[(1,3-dimethylazetidin-3-yl)-hydroxy-(4-prop-1-en-2-ylphenyl)methyl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 175382838
(R)-(1,3-dimethylazetidin-3-yl)-[5-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]-(4-propan-2-ylphenyl)methanol
CID 157025987
1-[[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2,5-dione
CID 157025871
2-[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1H-pyrazol-5-yl]-2,2-difluoroethanol
CID 166525503
2-[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(3-methyl-4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 157026581
(R)-(1,3-dimethylazetidin-3-yl)-[5-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]-(4-propylphenyl)methanol
CID 157025862
N-[2-[3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-2-hydroxy-N-methylacetamide
CID 157026210
(1,3-dimethylazetidin-3-yl)-(5-pyrrolidin-1-yl-3-pyridinyl)-[4-(trifluoromethyl)phenyl]methanol
CID 175382791
(R)-(1,3-dimethylazetidin-3-yl)-[5-[1-(2-methoxypropan-2-yl)imidazol-4-yl]-3-pyridinyl]-(4-propan-2-ylphenyl)methanol
CID 175389210
1-[(3S)-3-[[3-[5-[(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-1-yl]ethanone
CID 175389223
(R)-(1,3-dimethylazetidin-3-yl)-[5-[3-[(2-methylpropan-2-yl)oxymethyl]-1,2,4-oxadiazol-5-yl]-3-pyridinyl]-(4-propan-2-ylphenyl)methanol
CID 157026196

Frequently Asked Questions

What is the IUPAC name of (R)-(1,3-dimethylazetidin-3-yl)-[5-(1,2,4-oxadiazol-3-yl)-3-pyridinyl]-[4-(2,2,2-trifluoroethyl)phenyl]methanol?
The IUPAC name of (R)-(1,3-dimethylazetidin-3-yl)-[5-(1,2,4-oxadiazol-3-yl)-3-pyridinyl]-[4-(2,2,2-trifluoroethyl)phenyl]methanol (CID 175864654) is (R)-(1,3-dimethylazetidin-3-yl)-[5-(1,2,4-oxadiazol-3-yl)-3-pyridinyl]-[4-(2,2,2-trifluoroethyl)phenyl]methanol.
What is the SMILES notation for (R)-(1,3-dimethylazetidin-3-yl)-[5-(1,2,4-oxadiazol-3-yl)-3-pyridinyl]-[4-(2,2,2-trifluoroethyl)phenyl]methanol?
The canonical SMILES for (R)-(1,3-dimethylazetidin-3-yl)-[5-(1,2,4-oxadiazol-3-yl)-3-pyridinyl]-[4-(2,2,2-trifluoroethyl)phenyl]methanol is CN1CC(C)([C@](O)(c2ccc(CC(F)(F)F)cc2)c2cncc(-c3ncon3)c2)C1.
What is the InChIKey of (R)-(1,3-dimethylazetidin-3-yl)-[5-(1,2,4-oxadiazol-3-yl)-3-pyridinyl]-[4-(2,2,2-trifluoroethyl)phenyl]methanol?
The InChIKey is DDAXXPVSEGOVHY-NRFANRHFSA-N. The full InChI is InChI=1S/C21H21F3N4O2/c1-19(11-28(2)12-19)21(29,16-5-3-14(4-6-16)8-20(22,23)24)17-7-15(9-25-10-17)18-26-13-30-27-18/h3-7,9-10,13,29H,8,11-12H2,1-2H3/t21-/m0/s1.
What are the key properties of (R)-(1,3-dimethylazetidin-3-yl)-[5-(1,2,4-oxadiazol-3-yl)-3-pyridinyl]-[4-(2,2,2-trifluoroethyl)phenyl]methanol?
(R)-(1,3-dimethylazetidin-3-yl)-[5-(1,2,4-oxadiazol-3-yl)-3-pyridinyl]-[4-(2,2,2-trifluoroethyl)phenyl]methanol has a molecular weight of 418.42 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(1,3-dimethylazetidin-3-yl)-[5-(1,2,4-oxadiazol-3-yl)-3-pyridinyl]-[4-(2,2,2-trifluoroethyl)phenyl]methanol is sourced from PubChem (CID 175864654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).