furan-3-yl-[(3S)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone

C12H10F3N3O3 — CID 129417650

IUPACfuran-3-yl-[(3S)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone
SMILESO=C(c1ccoc1)N1CC[C@H](c2noc(C(F)(F)F)n2)C1
InChIInChI=1S/C12H10F3N3O3/c13-12(14,15)11-16-9(17-21-11)7-1-3-18(5-7)10(19)8-2-4-20-6-8/h2,4,6-7H,1,3,5H2/t7-/m0/s1
InChIKeyQQQBVTAROUEHMC-ZETCQYMHSA-N
MW301.22 g/mol
LogP2.31
Rot. Bonds2

About furan-3-yl-[(3S)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone

furan-3-yl-[(3S)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone (PubChem CID 129417650) has the molecular formula C12H10F3N3O3 and a molecular weight of 301.22 g/mol. Its IUPAC name is furan-3-yl-[(3S)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namefuran-3-yl-[(3S)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone
PubChem CID129417650
Molecular FormulaC12H10F3N3O3
Molecular Weight301.22 g/mol
Exact Mass301.07
IUPAC Namefuran-3-yl-[(3S)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone
SMILESO=C(c1ccoc1)N1CC[C@H](c2noc(C(F)(F)F)n2)C1
InChIInChI=1S/C12H10F3N3O3/c13-12(14,15)11-16-9(17-21-11)7-1-3-18(5-7)10(19)8-2-4-20-6-8/h2,4,6-7H,1,3,5H2/t7-/m0/s1
InChIKeyQQQBVTAROUEHMC-ZETCQYMHSA-N
XLogP2.31
TPSA72.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(6-methyl-3-pyridinyl)-[(3S)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone
CID 129418311
2,1,3-benzothiadiazol-5-yl-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone
CID 121019691
(2-methylpyrazol-3-yl)-[(3S)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone
CID 129416553
(1-methylpyrrol-2-yl)-[(3R)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone
CID 129417627
[3-(tetrazol-1-yl)phenyl]-[(3R)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone
CID 129417243
[(2R)-oxolan-2-yl]-[(3S)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone
CID 129417973
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
(5-methyl-1H-pyrazol-3-yl)-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone
CID 119102453
oxan-4-yl-[(3S)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone
CID 129416204
(Z)-3-phenyl-1-[(3R)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]prop-2-en-1-one
CID 129447731
2-phenoxy-1-[(3R)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]ethanone
CID 129417967

Frequently Asked Questions

What is the IUPAC name of furan-3-yl-[(3S)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of furan-3-yl-[(3S)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone (CID 129417650) is furan-3-yl-[(3S)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for furan-3-yl-[(3S)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for furan-3-yl-[(3S)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone is O=C(c1ccoc1)N1CC[C@H](c2noc(C(F)(F)F)n2)C1.
What is the InChIKey of furan-3-yl-[(3S)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone?
The InChIKey is QQQBVTAROUEHMC-ZETCQYMHSA-N. The full InChI is InChI=1S/C12H10F3N3O3/c13-12(14,15)11-16-9(17-21-11)7-1-3-18(5-7)10(19)8-2-4-20-6-8/h2,4,6-7H,1,3,5H2/t7-/m0/s1.
What are the key properties of furan-3-yl-[(3S)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone?
furan-3-yl-[(3S)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone has a molecular weight of 301.22 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-yl-[(3S)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 129417650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).