[(3R)-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone

C17H13F3N4O2S — CID 124877951

IUPAC[(3R)-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)nc1)N1CC[C@@H](c2noc(-c3cccs3)n2)C1
InChIInChI=1S/C17H13F3N4O2S/c18-17(19,20)13-4-3-10(8-21-13)16(25)24-6-5-11(9-24)14-22-15(26-23-14)12-2-1-7-27-12/h1-4,7-8,11H,5-6,9H2/t11-/m1/s1
InChIKeyVVBBPTHRBFIKSJ-LLVKDONJSA-N
MW394.38 g/mol
LogP3.84
Rot. Bonds3

About [(3R)-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone

[(3R)-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone (PubChem CID 124877951) has the molecular formula C17H13F3N4O2S and a molecular weight of 394.38 g/mol. Its IUPAC name is [(3R)-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[(3R)-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
PubChem CID124877951
Molecular FormulaC17H13F3N4O2S
Molecular Weight394.38 g/mol
Exact Mass394.07
IUPAC Name[(3R)-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)nc1)N1CC[C@@H](c2noc(-c3cccs3)n2)C1
InChIInChI=1S/C17H13F3N4O2S/c18-17(19,20)13-4-3-10(8-21-13)16(25)24-6-5-11(9-24)14-22-15(26-23-14)12-2-1-7-27-12/h1-4,7-8,11H,5-6,9H2/t11-/m1/s1
InChIKeyVVBBPTHRBFIKSJ-LLVKDONJSA-N
XLogP3.84
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.38
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(3R)-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone with MolForge

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Related Compounds

furan-3-yl-[(3R)-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 124876341
furan-3-yl-[(3S)-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 124876340
(2-methylsulfanyl-3-pyridinyl)-[(3R)-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 124892522
1-benzothiophen-2-yl-[(3S)-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 124759884
2-methoxy-1-[3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone
CID 119102358
(6-methyl-3-pyridinyl)-[(3S)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone
CID 129418311
(3-hydroxypyrrolidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 62917121
(Z)-3-(2,5-difluorophenyl)-1-[3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]prop-2-en-1-one
CID 119102370
(7-thiophen-2-yl-1,4-thiazepan-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 90632884
(4-hydroxypiperidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 43424156
[3-(methylamino)pyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride
CID 119413882
[(3S)-3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone
CID 129418244

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
The IUPAC name of [(3R)-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone (CID 124877951) is [(3R)-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone.
What is the SMILES notation for [(3R)-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
The canonical SMILES for [(3R)-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone is O=C(c1ccc(C(F)(F)F)nc1)N1CC[C@@H](c2noc(-c3cccs3)n2)C1.
What is the InChIKey of [(3R)-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
The InChIKey is VVBBPTHRBFIKSJ-LLVKDONJSA-N. The full InChI is InChI=1S/C17H13F3N4O2S/c18-17(19,20)13-4-3-10(8-21-13)16(25)24-6-5-11(9-24)14-22-15(26-23-14)12-2-1-7-27-12/h1-4,7-8,11H,5-6,9H2/t11-/m1/s1.
What are the key properties of [(3R)-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
[(3R)-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone has a molecular weight of 394.38 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone is sourced from PubChem (CID 124877951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).