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

C9H11F2N3O — CID 69189789

IUPAC3-cyclopropyl-5-[(2S)-4,4-difluoropyrrolidin-2-yl]-1,2,4-oxadiazole
SMILESFC1(F)CN[C@H](c2nc(C3CC3)no2)C1
InChIInChI=1S/C9H11F2N3O/c10-9(11)3-6(12-4-9)8-13-7(14-15-8)5-1-2-5/h5-6,12H,1-4H2/t6-/m0/s1
InChIKeySVWGTYGNIYPEQY-LURJTMIESA-N
MW215.20 g/mol
LogP1.62
Rot. Bonds2

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

3-cyclopropyl-5-[(2S)-4,4-difluoropyrrolidin-2-yl]-1,2,4-oxadiazole (PubChem CID 69189789) has the molecular formula C9H11F2N3O and a molecular weight of 215.20 g/mol. Its IUPAC name is 3-cyclopropyl-5-[(2S)-4,4-difluoropyrrolidin-2-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[(2S)-4,4-difluoropyrrolidin-2-yl]-1,2,4-oxadiazole
PubChem CID69189789
Molecular FormulaC9H11F2N3O
Molecular Weight215.20 g/mol
Exact Mass215.09
IUPAC Name3-cyclopropyl-5-[(2S)-4,4-difluoropyrrolidin-2-yl]-1,2,4-oxadiazole
SMILESFC1(F)CN[C@H](c2nc(C3CC3)no2)C1
InChIInChI=1S/C9H11F2N3O/c10-9(11)3-6(12-4-9)8-13-7(14-15-8)5-1-2-5/h5-6,12H,1-4H2/t6-/m0/s1
InChIKeySVWGTYGNIYPEQY-LURJTMIESA-N
XLogP1.62
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[(2S)-4,4-difluoropyrrolidin-2-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopropyl-5-[(2S)-4,4-difluoropyrrolidin-2-yl]-1,2,4-oxadiazole (CID 69189789) is 3-cyclopropyl-5-[(2S)-4,4-difluoropyrrolidin-2-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopropyl-5-[(2S)-4,4-difluoropyrrolidin-2-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopropyl-5-[(2S)-4,4-difluoropyrrolidin-2-yl]-1,2,4-oxadiazole is FC1(F)CN[C@H](c2nc(C3CC3)no2)C1.
What is the InChIKey of 3-cyclopropyl-5-[(2S)-4,4-difluoropyrrolidin-2-yl]-1,2,4-oxadiazole?
The InChIKey is SVWGTYGNIYPEQY-LURJTMIESA-N. The full InChI is InChI=1S/C9H11F2N3O/c10-9(11)3-6(12-4-9)8-13-7(14-15-8)5-1-2-5/h5-6,12H,1-4H2/t6-/m0/s1.
What are the key properties of 3-cyclopropyl-5-[(2S)-4,4-difluoropyrrolidin-2-yl]-1,2,4-oxadiazole?
3-cyclopropyl-5-[(2S)-4,4-difluoropyrrolidin-2-yl]-1,2,4-oxadiazole has a molecular weight of 215.20 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[(2S)-4,4-difluoropyrrolidin-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 69189789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).