5-[(2S,4S)-4-fluoropyrrolidin-2-yl]-3-pyridin-2-yl-1,2,4-oxadiazole

C11H11FN4O — CID 129493089

IUPAC5-[(2S,4S)-4-fluoropyrrolidin-2-yl]-3-pyridin-2-yl-1,2,4-oxadiazole
SMILESF[C@@H]1CN[C@H](c2nc(-c3ccccn3)no2)C1
InChIInChI=1S/C11H11FN4O/c12-7-5-9(14-6-7)11-15-10(16-17-11)8-3-1-2-4-13-8/h1-4,7,9,14H,5-6H2/t7-,9-/m0/s1
InChIKeyCSWASVXBCXASAA-CBAPKCEASA-N
MW234.23 g/mol
LogP1.50
Rot. Bonds2

About 5-[(2S,4S)-4-fluoropyrrolidin-2-yl]-3-pyridin-2-yl-1,2,4-oxadiazole

5-[(2S,4S)-4-fluoropyrrolidin-2-yl]-3-pyridin-2-yl-1,2,4-oxadiazole (PubChem CID 129493089) has the molecular formula C11H11FN4O and a molecular weight of 234.23 g/mol. Its IUPAC name is 5-[(2S,4S)-4-fluoropyrrolidin-2-yl]-3-pyridin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2S,4S)-4-fluoropyrrolidin-2-yl]-3-pyridin-2-yl-1,2,4-oxadiazole
PubChem CID129493089
Molecular FormulaC11H11FN4O
Molecular Weight234.23 g/mol
Exact Mass234.09
IUPAC Name5-[(2S,4S)-4-fluoropyrrolidin-2-yl]-3-pyridin-2-yl-1,2,4-oxadiazole
SMILESF[C@@H]1CN[C@H](c2nc(-c3ccccn3)no2)C1
InChIInChI=1S/C11H11FN4O/c12-7-5-9(14-6-7)11-15-10(16-17-11)8-3-1-2-4-13-8/h1-4,7,9,14H,5-6H2/t7-,9-/m0/s1
InChIKeyCSWASVXBCXASAA-CBAPKCEASA-N
XLogP1.50
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2S,4R)-4-fluoropyrrolidin-2-yl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 129493088
5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 120835468
5-[(2S,4R)-4-fluoropyrrolidin-2-yl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 129493220
3-(5-bromofuran-2-yl)-5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-1,2,4-oxadiazole
CID 120842152
5-(4-fluoropyrrolidin-2-yl)-3-thiophen-3-yl-1,2,4-oxadiazole
CID 121199950
5-[5-(4-chlorophenyl)pyrazolidin-3-yl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 75975200
(3R,5S)-5-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 104911446
5-(2-methylpyrrolidin-3-yl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 79371542
5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole;hydrochloride
CID 131223525
5-(4-methoxypyrrolidin-2-yl)-3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazole
CID 115529362
(3S,5S)-5-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912294
5-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 114350998

Frequently Asked Questions

What is the IUPAC name of 5-[(2S,4S)-4-fluoropyrrolidin-2-yl]-3-pyridin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[(2S,4S)-4-fluoropyrrolidin-2-yl]-3-pyridin-2-yl-1,2,4-oxadiazole (CID 129493089) is 5-[(2S,4S)-4-fluoropyrrolidin-2-yl]-3-pyridin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2S,4S)-4-fluoropyrrolidin-2-yl]-3-pyridin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2S,4S)-4-fluoropyrrolidin-2-yl]-3-pyridin-2-yl-1,2,4-oxadiazole is F[C@@H]1CN[C@H](c2nc(-c3ccccn3)no2)C1.
What is the InChIKey of 5-[(2S,4S)-4-fluoropyrrolidin-2-yl]-3-pyridin-2-yl-1,2,4-oxadiazole?
The InChIKey is CSWASVXBCXASAA-CBAPKCEASA-N. The full InChI is InChI=1S/C11H11FN4O/c12-7-5-9(14-6-7)11-15-10(16-17-11)8-3-1-2-4-13-8/h1-4,7,9,14H,5-6H2/t7-,9-/m0/s1.
What are the key properties of 5-[(2S,4S)-4-fluoropyrrolidin-2-yl]-3-pyridin-2-yl-1,2,4-oxadiazole?
5-[(2S,4S)-4-fluoropyrrolidin-2-yl]-3-pyridin-2-yl-1,2,4-oxadiazole has a molecular weight of 234.23 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S,4S)-4-fluoropyrrolidin-2-yl]-3-pyridin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 129493089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).