5-(4-fluoropyrrolidin-2-yl)-3-thiophen-3-yl-1,2,4-oxadiazole

C10H10FN3OS — CID 121199950

IUPAC5-(4-fluoropyrrolidin-2-yl)-3-thiophen-3-yl-1,2,4-oxadiazole
SMILESFC1CNC(c2nc(-c3ccsc3)no2)C1
InChIInChI=1S/C10H10FN3OS/c11-7-3-8(12-4-7)10-13-9(14-15-10)6-1-2-16-5-6/h1-2,5,7-8,12H,3-4H2
InChIKeyIZYGAZZCKPHXJG-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.17
Rot. Bonds2

About 5-(4-fluoropyrrolidin-2-yl)-3-thiophen-3-yl-1,2,4-oxadiazole

5-(4-fluoropyrrolidin-2-yl)-3-thiophen-3-yl-1,2,4-oxadiazole (PubChem CID 121199950) has the molecular formula C10H10FN3OS and a molecular weight of 239.27 g/mol. Its IUPAC name is 5-(4-fluoropyrrolidin-2-yl)-3-thiophen-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-fluoropyrrolidin-2-yl)-3-thiophen-3-yl-1,2,4-oxadiazole
PubChem CID121199950
Molecular FormulaC10H10FN3OS
Molecular Weight239.27 g/mol
Exact Mass239.05
IUPAC Name5-(4-fluoropyrrolidin-2-yl)-3-thiophen-3-yl-1,2,4-oxadiazole
SMILESFC1CNC(c2nc(-c3ccsc3)no2)C1
InChIInChI=1S/C10H10FN3OS/c11-7-3-8(12-4-7)10-13-9(14-15-10)6-1-2-16-5-6/h1-2,5,7-8,12H,3-4H2
InChIKeyIZYGAZZCKPHXJG-UHFFFAOYSA-N
XLogP2.17
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-methylpiperidin-2-yl)-3-thiophen-3-yl-1,2,4-oxadiazole
CID 114424841
5-[(2S,4R)-4-fluoropyrrolidin-2-yl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 129493220
5-(4-ethylpiperidin-2-yl)-3-thiophen-3-yl-1,2,4-oxadiazole
CID 114429878
3-(5-bromofuran-2-yl)-5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-1,2,4-oxadiazole
CID 120842152
5-[(2S,4R)-4-fluoropyrrolidin-2-yl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 129493088
5-[(2S,4S)-4-fluoropyrrolidin-2-yl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 129493089
5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 120835468
5-(oxolan-2-yl)-3-thiophen-3-yl-1,2,4-oxadiazole
CID 45208254
5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole;hydrochloride
CID 131223525
(3R,5S)-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 51136219
3-cyclopropyl-5-[(2S,4S)-4-fluoropyrrolidin-2-yl]-1,2,4-oxadiazole;hydrochloride
CID 69197928
(5S)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 104911082

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoropyrrolidin-2-yl)-3-thiophen-3-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(4-fluoropyrrolidin-2-yl)-3-thiophen-3-yl-1,2,4-oxadiazole (CID 121199950) is 5-(4-fluoropyrrolidin-2-yl)-3-thiophen-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-fluoropyrrolidin-2-yl)-3-thiophen-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-fluoropyrrolidin-2-yl)-3-thiophen-3-yl-1,2,4-oxadiazole is FC1CNC(c2nc(-c3ccsc3)no2)C1.
What is the InChIKey of 5-(4-fluoropyrrolidin-2-yl)-3-thiophen-3-yl-1,2,4-oxadiazole?
The InChIKey is IZYGAZZCKPHXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3OS/c11-7-3-8(12-4-7)10-13-9(14-15-10)6-1-2-16-5-6/h1-2,5,7-8,12H,3-4H2.
What are the key properties of 5-(4-fluoropyrrolidin-2-yl)-3-thiophen-3-yl-1,2,4-oxadiazole?
5-(4-fluoropyrrolidin-2-yl)-3-thiophen-3-yl-1,2,4-oxadiazole has a molecular weight of 239.27 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoropyrrolidin-2-yl)-3-thiophen-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 121199950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).