5-(1-fluorocyclopropyl)-3-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole

C9H12FN3O — CID 59650637

IUPAC5-(1-fluorocyclopropyl)-3-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole
SMILESFC1(c2nc([C@@H]3CCCN3)no2)CC1
InChIInChI=1S/C9H12FN3O/c10-9(3-4-9)8-12-7(13-14-8)6-2-1-5-11-6/h6,11H,1-5H2/t6-/m0/s1
InChIKeyQHSRMLZMXFOERR-LURJTMIESA-N
MW197.21 g/mol
LogP1.45
Rot. Bonds2

About 5-(1-fluorocyclopropyl)-3-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole

5-(1-fluorocyclopropyl)-3-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole (PubChem CID 59650637) has the molecular formula C9H12FN3O and a molecular weight of 197.21 g/mol. Its IUPAC name is 5-(1-fluorocyclopropyl)-3-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1-fluorocyclopropyl)-3-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole
PubChem CID59650637
Molecular FormulaC9H12FN3O
Molecular Weight197.21 g/mol
Exact Mass197.10
IUPAC Name5-(1-fluorocyclopropyl)-3-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole
SMILESFC1(c2nc([C@@H]3CCCN3)no2)CC1
InChIInChI=1S/C9H12FN3O/c10-9(3-4-9)8-12-7(13-14-8)6-2-1-5-11-6/h6,11H,1-5H2/t6-/m0/s1
InChIKeyQHSRMLZMXFOERR-LURJTMIESA-N
XLogP1.45
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1-fluorocyclopropyl)-3-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-(1-fluorocyclopropyl)-3-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole (CID 59650637) is 5-(1-fluorocyclopropyl)-3-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1-fluorocyclopropyl)-3-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(1-fluorocyclopropyl)-3-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole is FC1(c2nc([C@@H]3CCCN3)no2)CC1.
What is the InChIKey of 5-(1-fluorocyclopropyl)-3-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole?
The InChIKey is QHSRMLZMXFOERR-LURJTMIESA-N. The full InChI is InChI=1S/C9H12FN3O/c10-9(3-4-9)8-12-7(13-14-8)6-2-1-5-11-6/h6,11H,1-5H2/t6-/m0/s1.
What are the key properties of 5-(1-fluorocyclopropyl)-3-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole?
5-(1-fluorocyclopropyl)-3-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole has a molecular weight of 197.21 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-fluorocyclopropyl)-3-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 59650637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).