3-cyclopropyl-5-[(2S)-4,4-difluoro-1-methylsulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole

C10H13F2N3O3S — CID 110203134

IUPAC3-cyclopropyl-5-[(2S)-4,4-difluoro-1-methylsulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole
SMILESCS(=O)(=O)N1CC(F)(F)C[C@H]1c1nc(C2CC2)no1
InChIInChI=1S/C10H13F2N3O3S/c1-19(16,17)15-5-10(11,12)4-7(15)9-13-8(14-18-9)6-2-3-6/h6-7H,2-5H2,1H3/t7-/m0/s1
InChIKeyYTFVRYYBSWBNPL-ZETCQYMHSA-N
MW293.30 g/mol
LogP1.29
Rot. Bonds3

About 3-cyclopropyl-5-[(2S)-4,4-difluoro-1-methylsulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole

3-cyclopropyl-5-[(2S)-4,4-difluoro-1-methylsulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole (PubChem CID 110203134) has the molecular formula C10H13F2N3O3S and a molecular weight of 293.30 g/mol. Its IUPAC name is 3-cyclopropyl-5-[(2S)-4,4-difluoro-1-methylsulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[(2S)-4,4-difluoro-1-methylsulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole
PubChem CID110203134
Molecular FormulaC10H13F2N3O3S
Molecular Weight293.30 g/mol
Exact Mass293.06
IUPAC Name3-cyclopropyl-5-[(2S)-4,4-difluoro-1-methylsulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole
SMILESCS(=O)(=O)N1CC(F)(F)C[C@H]1c1nc(C2CC2)no1
InChIInChI=1S/C10H13F2N3O3S/c1-19(16,17)15-5-10(11,12)4-7(15)9-13-8(14-18-9)6-2-3-6/h6-7H,2-5H2,1H3/t7-/m0/s1
InChIKeyYTFVRYYBSWBNPL-ZETCQYMHSA-N
XLogP1.29
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[(2S)-4,4-difluoro-1-methylsulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopropyl-5-[(2S)-4,4-difluoro-1-methylsulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole (CID 110203134) is 3-cyclopropyl-5-[(2S)-4,4-difluoro-1-methylsulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopropyl-5-[(2S)-4,4-difluoro-1-methylsulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopropyl-5-[(2S)-4,4-difluoro-1-methylsulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole is CS(=O)(=O)N1CC(F)(F)C[C@H]1c1nc(C2CC2)no1.
What is the InChIKey of 3-cyclopropyl-5-[(2S)-4,4-difluoro-1-methylsulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole?
The InChIKey is YTFVRYYBSWBNPL-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H13F2N3O3S/c1-19(16,17)15-5-10(11,12)4-7(15)9-13-8(14-18-9)6-2-3-6/h6-7H,2-5H2,1H3/t7-/m0/s1.
What are the key properties of 3-cyclopropyl-5-[(2S)-4,4-difluoro-1-methylsulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole?
3-cyclopropyl-5-[(2S)-4,4-difluoro-1-methylsulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole has a molecular weight of 293.30 g/mol, XLogP of 1.29, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[(2S)-4,4-difluoro-1-methylsulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 110203134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).