[(2S)-4,4-difluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone

C13H13F2N3O3 — CID 110203266

IUPAC[(2S)-4,4-difluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone
SMILESCc1nnc([C@@H]2CC(F)(F)CN2C(=O)c2ccoc2C)o1
InChIInChI=1S/C13H13F2N3O3/c1-7-9(3-4-20-7)12(19)18-6-13(14,15)5-10(18)11-17-16-8(2)21-11/h3-4,10H,5-6H2,1-2H3/t10-/m0/s1
InChIKeyFFXREKVIYJRXFY-JTQLQIEISA-N
MW297.26 g/mol
LogP2.50
Rot. Bonds2

About [(2S)-4,4-difluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone

[(2S)-4,4-difluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone (PubChem CID 110203266) has the molecular formula C13H13F2N3O3 and a molecular weight of 297.26 g/mol. Its IUPAC name is [(2S)-4,4-difluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone.

Molecular Properties

Compound Name[(2S)-4,4-difluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone
PubChem CID110203266
Molecular FormulaC13H13F2N3O3
Molecular Weight297.26 g/mol
Exact Mass297.09
IUPAC Name[(2S)-4,4-difluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone
SMILESCc1nnc([C@@H]2CC(F)(F)CN2C(=O)c2ccoc2C)o1
InChIInChI=1S/C13H13F2N3O3/c1-7-9(3-4-20-7)12(19)18-6-13(14,15)5-10(18)11-17-16-8(2)21-11/h3-4,10H,5-6H2,1-2H3/t10-/m0/s1
InChIKeyFFXREKVIYJRXFY-JTQLQIEISA-N
XLogP2.50
TPSA72.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.26
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2S)-4,4-difluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone?
The IUPAC name of [(2S)-4,4-difluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone (CID 110203266) is [(2S)-4,4-difluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone.
What is the SMILES notation for [(2S)-4,4-difluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone?
The canonical SMILES for [(2S)-4,4-difluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone is Cc1nnc([C@@H]2CC(F)(F)CN2C(=O)c2ccoc2C)o1.
What is the InChIKey of [(2S)-4,4-difluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone?
The InChIKey is FFXREKVIYJRXFY-JTQLQIEISA-N. The full InChI is InChI=1S/C13H13F2N3O3/c1-7-9(3-4-20-7)12(19)18-6-13(14,15)5-10(18)11-17-16-8(2)21-11/h3-4,10H,5-6H2,1-2H3/t10-/m0/s1.
What are the key properties of [(2S)-4,4-difluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone?
[(2S)-4,4-difluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone has a molecular weight of 297.26 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-4,4-difluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone is sourced from PubChem (CID 110203266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).