(3R,5S)-5-(1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol

C6H9N3O2 — CID 102993921

IUPAC(3R,5S)-5-(1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
SMILESO[C@H]1CN[C@H](c2ncno2)C1
InChIInChI=1S/C6H9N3O2/c10-4-1-5(7-2-4)6-8-3-9-11-6/h3-5,7,10H,1-2H2/t4-,5+/m1/s1
InChIKeyXFJDDKJLNGNQTJ-UHNVWZDZSA-N
MW155.16 g/mol
LogP-0.54
Rot. Bonds1

About (3R,5S)-5-(1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol

(3R,5S)-5-(1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol (PubChem CID 102993921) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is (3R,5S)-5-(1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,5S)-5-(1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
PubChem CID102993921
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Name(3R,5S)-5-(1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
SMILESO[C@H]1CN[C@H](c2ncno2)C1
InChIInChI=1S/C6H9N3O2/c10-4-1-5(7-2-4)6-8-3-9-11-6/h3-5,7,10H,1-2H2/t4-,5+/m1/s1
InChIKeyXFJDDKJLNGNQTJ-UHNVWZDZSA-N
XLogP-0.54
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,5S)-5-(1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol?
The IUPAC name of (3R,5S)-5-(1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol (CID 102993921) is (3R,5S)-5-(1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol.
What is the SMILES notation for (3R,5S)-5-(1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol?
The canonical SMILES for (3R,5S)-5-(1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol is O[C@H]1CN[C@H](c2ncno2)C1.
What is the InChIKey of (3R,5S)-5-(1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol?
The InChIKey is XFJDDKJLNGNQTJ-UHNVWZDZSA-N. The full InChI is InChI=1S/C6H9N3O2/c10-4-1-5(7-2-4)6-8-3-9-11-6/h3-5,7,10H,1-2H2/t4-,5+/m1/s1.
What are the key properties of (3R,5S)-5-(1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol?
(3R,5S)-5-(1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol has a molecular weight of 155.16 g/mol, XLogP of -0.54, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-5-(1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol is sourced from PubChem (CID 102993921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).