3-[6-[(3R)-1-propylsulfonylpyrrolidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole

C15H17F3N4O4S — CID 146461772

IUPAC3-[6-[(3R)-1-propylsulfonylpyrrolidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
SMILESCCCS(=O)(=O)N1CC[C@@H](Oc2ccc(-c3noc(C(F)(F)F)n3)cn2)C1
InChIInChI=1S/C15H17F3N4O4S/c1-2-7-27(23,24)22-6-5-11(9-22)25-12-4-3-10(8-19-12)13-20-14(26-21-13)15(16,17)18/h3-4,8,11H,2,5-7,9H2,1H3/t11-/m1/s1
InChIKeyYUGLSNROANWHAH-LLVKDONJSA-N
MW406.39 g/mol
LogP2.34
Rot. Bonds6

About 3-[6-[(3R)-1-propylsulfonylpyrrolidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole

3-[6-[(3R)-1-propylsulfonylpyrrolidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole (PubChem CID 146461772) has the molecular formula C15H17F3N4O4S and a molecular weight of 406.39 g/mol. Its IUPAC name is 3-[6-[(3R)-1-propylsulfonylpyrrolidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[6-[(3R)-1-propylsulfonylpyrrolidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
PubChem CID146461772
Molecular FormulaC15H17F3N4O4S
Molecular Weight406.39 g/mol
Exact Mass406.09
IUPAC Name3-[6-[(3R)-1-propylsulfonylpyrrolidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
SMILESCCCS(=O)(=O)N1CC[C@@H](Oc2ccc(-c3noc(C(F)(F)F)n3)cn2)C1
InChIInChI=1S/C15H17F3N4O4S/c1-2-7-27(23,24)22-6-5-11(9-22)25-12-4-3-10(8-19-12)13-20-14(26-21-13)15(16,17)18/h3-4,8,11H,2,5-7,9H2,1H3/t11-/m1/s1
InChIKeyYUGLSNROANWHAH-LLVKDONJSA-N
XLogP2.34
TPSA98.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.39
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[6-(1-methylsulfonylpyrrolidin-3-yl)oxy-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 146461457
3-[6-[(3R)-1-ethylpyrrolidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 162786387
5-(trifluoromethyl)-3-[6-[(3R)-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]oxy-3-pyridinyl]-1,2,4-oxadiazole
CID 146461708
3-[6-[(3S)-1-pyridin-3-ylsulfonylpyrrolidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 146461397
3-[6-[(3R)-1-(2-chlorophenyl)sulfonylpyrrolidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 156903079
3-[4-[1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]oxyphenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 146461433
3-methoxy-6-(1-propylsulfonylpyrrolidin-3-yl)oxypyridazine
CID 90639359
3-[4-[(3S)-1-(benzenesulfonyl)pyrrolidin-3-yl]oxyphenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 146461752
3-[4-[(3S)-1-propan-2-ylpyrrolidin-3-yl]oxyphenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 156903080
2-tert-butyl-3-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]oxy]pyrrolidine-1-carboxylic acid
CID 146461821
3-[4-[1-(2,4-dichlorophenyl)sulfonylpyrrolidin-3-yl]oxyphenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 146461620
3-methoxy-6-[1-(3,3,3-trifluoropropylsulfonyl)pyrrolidin-3-yl]oxypyridazine
CID 91627548

Frequently Asked Questions

What is the IUPAC name of 3-[6-[(3R)-1-propylsulfonylpyrrolidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[6-[(3R)-1-propylsulfonylpyrrolidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole (CID 146461772) is 3-[6-[(3R)-1-propylsulfonylpyrrolidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[6-[(3R)-1-propylsulfonylpyrrolidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[6-[(3R)-1-propylsulfonylpyrrolidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole is CCCS(=O)(=O)N1CC[C@@H](Oc2ccc(-c3noc(C(F)(F)F)n3)cn2)C1.
What is the InChIKey of 3-[6-[(3R)-1-propylsulfonylpyrrolidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole?
The InChIKey is YUGLSNROANWHAH-LLVKDONJSA-N. The full InChI is InChI=1S/C15H17F3N4O4S/c1-2-7-27(23,24)22-6-5-11(9-22)25-12-4-3-10(8-19-12)13-20-14(26-21-13)15(16,17)18/h3-4,8,11H,2,5-7,9H2,1H3/t11-/m1/s1.
What are the key properties of 3-[6-[(3R)-1-propylsulfonylpyrrolidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole?
3-[6-[(3R)-1-propylsulfonylpyrrolidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole has a molecular weight of 406.39 g/mol, XLogP of 2.34, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[(3R)-1-propylsulfonylpyrrolidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 146461772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).