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

C8H11F2N3O — CID 110203246

IUPAC5-[(2S)-4,4-difluoropyrrolidin-2-yl]-3-ethyl-1,2,4-oxadiazole
SMILESCCc1noc([C@@H]2CC(F)(F)CN2)n1
InChIInChI=1S/C8H11F2N3O/c1-2-6-12-7(14-13-6)5-3-8(9,10)4-11-5/h5,11H,2-4H2,1H3/t5-/m0/s1
InChIKeyZNLIOPBHOFDVJL-YFKPBYRVSA-N
MW203.19 g/mol
LogP1.30
Rot. Bonds2

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

5-[(2S)-4,4-difluoropyrrolidin-2-yl]-3-ethyl-1,2,4-oxadiazole (PubChem CID 110203246) has the molecular formula C8H11F2N3O and a molecular weight of 203.19 g/mol. Its IUPAC name is 5-[(2S)-4,4-difluoropyrrolidin-2-yl]-3-ethyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2S)-4,4-difluoropyrrolidin-2-yl]-3-ethyl-1,2,4-oxadiazole
PubChem CID110203246
Molecular FormulaC8H11F2N3O
Molecular Weight203.19 g/mol
Exact Mass203.09
IUPAC Name5-[(2S)-4,4-difluoropyrrolidin-2-yl]-3-ethyl-1,2,4-oxadiazole
SMILESCCc1noc([C@@H]2CC(F)(F)CN2)n1
InChIInChI=1S/C8H11F2N3O/c1-2-6-12-7(14-13-6)5-3-8(9,10)4-11-5/h5,11H,2-4H2,1H3/t5-/m0/s1
InChIKeyZNLIOPBHOFDVJL-YFKPBYRVSA-N
XLogP1.30
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2S)-4,4-difluoropyrrolidin-2-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole;hydrochloride
CID 146064817
5-(4,4-difluoropyrrolidin-2-yl)-3-[(3-methoxyphenyl)methoxymethyl]-1,2,4-oxadiazole
CID 120838871
5-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 86276587
3-ethyl-5-[(4S)-1,3-thiazolidin-4-yl]-1,2,4-oxadiazole;hydrochloride
CID 130637803
5-(4,4-difluoropyrrolidin-2-yl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 120835482
3-(3-chlorophenyl)-5-(4,4-difluoropyrrolidin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120835832
5-(4,4-difluoropyrrolidin-2-yl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;hydrochloride
CID 120836778
5-(4,4-difluoropyrrolidin-2-yl)-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole;hydrochloride
CID 120841550
5-(4,4-difluoropyrrolidin-2-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazole
CID 120892327
3-ethyl-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole
CID 79343357
5-[(2R)-azetidin-2-yl]-3-(2-methylpropyl)-1,2,4-oxadiazole
CID 131020606
4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
CID 60812048

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-4,4-difluoropyrrolidin-2-yl]-3-ethyl-1,2,4-oxadiazole?
The IUPAC name of 5-[(2S)-4,4-difluoropyrrolidin-2-yl]-3-ethyl-1,2,4-oxadiazole (CID 110203246) is 5-[(2S)-4,4-difluoropyrrolidin-2-yl]-3-ethyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2S)-4,4-difluoropyrrolidin-2-yl]-3-ethyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2S)-4,4-difluoropyrrolidin-2-yl]-3-ethyl-1,2,4-oxadiazole is CCc1noc([C@@H]2CC(F)(F)CN2)n1.
What is the InChIKey of 5-[(2S)-4,4-difluoropyrrolidin-2-yl]-3-ethyl-1,2,4-oxadiazole?
The InChIKey is ZNLIOPBHOFDVJL-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H11F2N3O/c1-2-6-12-7(14-13-6)5-3-8(9,10)4-11-5/h5,11H,2-4H2,1H3/t5-/m0/s1.
What are the key properties of 5-[(2S)-4,4-difluoropyrrolidin-2-yl]-3-ethyl-1,2,4-oxadiazole?
5-[(2S)-4,4-difluoropyrrolidin-2-yl]-3-ethyl-1,2,4-oxadiazole has a molecular weight of 203.19 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-4,4-difluoropyrrolidin-2-yl]-3-ethyl-1,2,4-oxadiazole is sourced from PubChem (CID 110203246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).