5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazole

C5H5FN2O — CID 163472173

IUPAC5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazole
SMILESF[C@H]1C[C@@H]1c1ncno1
InChIInChI=1S/C5H5FN2O/c6-4-1-3(4)5-7-2-8-9-5/h2-4H,1H2/t3-,4-/m0/s1
InChIKeyBXKQGOIKJIGRFN-IMJSIDKUSA-N
MW128.11 g/mol
LogP0.89
Rot. Bonds1

About 5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazole

5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazole (PubChem CID 163472173) has the molecular formula C5H5FN2O and a molecular weight of 128.11 g/mol. Its IUPAC name is 5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazole
PubChem CID163472173
Molecular FormulaC5H5FN2O
Molecular Weight128.11 g/mol
Exact Mass128.04
IUPAC Name5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazole
SMILESF[C@H]1C[C@@H]1c1ncno1
InChIInChI=1S/C5H5FN2O/c6-4-1-3(4)5-7-2-8-9-5/h2-4H,1H2/t3-,4-/m0/s1
InChIKeyBXKQGOIKJIGRFN-IMJSIDKUSA-N
XLogP0.89
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.11
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazole?
The IUPAC name of 5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazole (CID 163472173) is 5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazole is F[C@H]1C[C@@H]1c1ncno1.
What is the InChIKey of 5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazole?
The InChIKey is BXKQGOIKJIGRFN-IMJSIDKUSA-N. The full InChI is InChI=1S/C5H5FN2O/c6-4-1-3(4)5-7-2-8-9-5/h2-4H,1H2/t3-,4-/m0/s1.
What are the key properties of 5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazole?
5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazole has a molecular weight of 128.11 g/mol, XLogP of 0.89, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazole is sourced from PubChem (CID 163472173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).