3-cyclopropyl-5-[(2S,4S)-4-fluoropyrrolidin-2-yl]-1,2,4-oxadiazole;hydrochloride

C9H13ClFN3O — CID 69197928

IUPAC3-cyclopropyl-5-[(2S,4S)-4-fluoropyrrolidin-2-yl]-1,2,4-oxadiazole;hydrochloride
SMILESCl.F[C@@H]1CN[C@H](c2nc(C3CC3)no2)C1
InChIInChI=1S/C9H12FN3O.ClH/c10-6-3-7(11-4-6)9-12-8(13-14-9)5-1-2-5;/h5-7,11H,1-4H2;1H/t6-,7-;/m0./s1
InChIKeyOESVEJQBJVXNCS-LEUCUCNGSA-N
MW233.67 g/mol
LogP1.74
Rot. Bonds2

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

3-cyclopropyl-5-[(2S,4S)-4-fluoropyrrolidin-2-yl]-1,2,4-oxadiazole;hydrochloride (PubChem CID 69197928) has the molecular formula C9H13ClFN3O and a molecular weight of 233.67 g/mol. Its IUPAC name is 3-cyclopropyl-5-[(2S,4S)-4-fluoropyrrolidin-2-yl]-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name3-cyclopropyl-5-[(2S,4S)-4-fluoropyrrolidin-2-yl]-1,2,4-oxadiazole;hydrochloride
PubChem CID69197928
Molecular FormulaC9H13ClFN3O
Molecular Weight233.67 g/mol
Exact Mass233.07
IUPAC Name3-cyclopropyl-5-[(2S,4S)-4-fluoropyrrolidin-2-yl]-1,2,4-oxadiazole;hydrochloride
SMILESCl.F[C@@H]1CN[C@H](c2nc(C3CC3)no2)C1
InChIInChI=1S/C9H12FN3O.ClH/c10-6-3-7(11-4-6)9-12-8(13-14-9)5-1-2-5;/h5-7,11H,1-4H2;1H/t6-,7-;/m0./s1
InChIKeyOESVEJQBJVXNCS-LEUCUCNGSA-N
XLogP1.74
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.67
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole;hydrochloride
CID 131223525
(3S,5R)-5-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 104971499
5-[(2R,4S)-4-methoxypyrrolidin-2-yl]-3-(4-methylcyclohexyl)-1,2,4-oxadiazole
CID 103467010
5-(azetidin-3-yl)-3-cyclopropyl-1,2,4-oxadiazole;hydrochloride
CID 71778975
(3S,5S)-5-[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912360
(3R,5S)-5-[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104911324
5-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-3-cyclopropyl-1,2,4-oxadiazole;hydrochloride
CID 131020863
5-(4-methoxypyrrolidin-2-yl)-3-(3-methylcyclopentyl)-1,2,4-oxadiazole
CID 65401220
5-(4-methoxypyrrolidin-2-yl)-3-(4-propylcyclohexyl)-1,2,4-oxadiazole
CID 65424805
3-cyclobutyl-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole;hydrochloride
CID 69188046
3-(5-bromofuran-2-yl)-5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-1,2,4-oxadiazole
CID 120842152
3-cyclopentyl-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 93357418

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[(2S,4S)-4-fluoropyrrolidin-2-yl]-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 3-cyclopropyl-5-[(2S,4S)-4-fluoropyrrolidin-2-yl]-1,2,4-oxadiazole;hydrochloride (CID 69197928) is 3-cyclopropyl-5-[(2S,4S)-4-fluoropyrrolidin-2-yl]-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 3-cyclopropyl-5-[(2S,4S)-4-fluoropyrrolidin-2-yl]-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 3-cyclopropyl-5-[(2S,4S)-4-fluoropyrrolidin-2-yl]-1,2,4-oxadiazole;hydrochloride is Cl.F[C@@H]1CN[C@H](c2nc(C3CC3)no2)C1.
What is the InChIKey of 3-cyclopropyl-5-[(2S,4S)-4-fluoropyrrolidin-2-yl]-1,2,4-oxadiazole;hydrochloride?
The InChIKey is OESVEJQBJVXNCS-LEUCUCNGSA-N. The full InChI is InChI=1S/C9H12FN3O.ClH/c10-6-3-7(11-4-6)9-12-8(13-14-9)5-1-2-5;/h5-7,11H,1-4H2;1H/t6-,7-;/m0./s1.
What are the key properties of 3-cyclopropyl-5-[(2S,4S)-4-fluoropyrrolidin-2-yl]-1,2,4-oxadiazole;hydrochloride?
3-cyclopropyl-5-[(2S,4S)-4-fluoropyrrolidin-2-yl]-1,2,4-oxadiazole;hydrochloride has a molecular weight of 233.67 g/mol, XLogP of 1.74, 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,4S)-4-fluoropyrrolidin-2-yl]-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 69197928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).