5-[(2R)-4,4-difluoro-1-methylpyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole

C8H11F2N3O — CID 90327701

IUPAC5-[(2R)-4,4-difluoro-1-methylpyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc([C@H]2CC(F)(F)CN2C)n1
InChIInChI=1S/C8H11F2N3O/c1-5-11-7(14-12-5)6-3-8(9,10)4-13(6)2/h6H,3-4H2,1-2H3/t6-/m1/s1
InChIKeySWMGQOBKUQGLPJ-ZCFIWIBFSA-N
MW203.19 g/mol
LogP1.39
Rot. Bonds1

About 5-[(2R)-4,4-difluoro-1-methylpyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole

5-[(2R)-4,4-difluoro-1-methylpyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole (PubChem CID 90327701) has the molecular formula C8H11F2N3O and a molecular weight of 203.19 g/mol. Its IUPAC name is 5-[(2R)-4,4-difluoro-1-methylpyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2R)-4,4-difluoro-1-methylpyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole
PubChem CID90327701
Molecular FormulaC8H11F2N3O
Molecular Weight203.19 g/mol
Exact Mass203.09
IUPAC Name5-[(2R)-4,4-difluoro-1-methylpyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc([C@H]2CC(F)(F)CN2C)n1
InChIInChI=1S/C8H11F2N3O/c1-5-11-7(14-12-5)6-3-8(9,10)4-13(6)2/h6H,3-4H2,1-2H3/t6-/m1/s1
InChIKeySWMGQOBKUQGLPJ-ZCFIWIBFSA-N
XLogP1.39
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-4,4-difluoro-1-methylpyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[(2R)-4,4-difluoro-1-methylpyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole (CID 90327701) is 5-[(2R)-4,4-difluoro-1-methylpyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2R)-4,4-difluoro-1-methylpyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2R)-4,4-difluoro-1-methylpyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole is Cc1noc([C@H]2CC(F)(F)CN2C)n1.
What is the InChIKey of 5-[(2R)-4,4-difluoro-1-methylpyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is SWMGQOBKUQGLPJ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H11F2N3O/c1-5-11-7(14-12-5)6-3-8(9,10)4-13(6)2/h6H,3-4H2,1-2H3/t6-/m1/s1.
What are the key properties of 5-[(2R)-4,4-difluoro-1-methylpyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole?
5-[(2R)-4,4-difluoro-1-methylpyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 203.19 g/mol, XLogP of 1.39, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-4,4-difluoro-1-methylpyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 90327701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).