2-[(1S,2R)-2-hydroxy-1-(1,2,4-oxadiazol-5-yl)propyl]-2,5-diazaspiro[3.4]octan-3-one

C11H16N4O3 — CID 78319061

IUPAC2-[(1S,2R)-2-hydroxy-1-(1,2,4-oxadiazol-5-yl)propyl]-2,5-diazaspiro[3.4]octan-3-one
SMILESC[C@@H](O)[C@@H](c1ncno1)N1CC2(CCCN2)C1=O
InChIInChI=1S/C11H16N4O3/c1-7(16)8(9-12-6-14-18-9)15-5-11(10(15)17)3-2-4-13-11/h6-8,13,16H,2-5H2,1H3/t7-,8+,11?/m1/s1
InChIKeyOKKGITXDURJUJY-IXIJJPBFSA-N
MW252.27 g/mol
LogP-0.54
Rot. Bonds3

About 2-[(1S,2R)-2-hydroxy-1-(1,2,4-oxadiazol-5-yl)propyl]-2,5-diazaspiro[3.4]octan-3-one

2-[(1S,2R)-2-hydroxy-1-(1,2,4-oxadiazol-5-yl)propyl]-2,5-diazaspiro[3.4]octan-3-one (PubChem CID 78319061) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-[(1S,2R)-2-hydroxy-1-(1,2,4-oxadiazol-5-yl)propyl]-2,5-diazaspiro[3.4]octan-3-one.

Molecular Properties

Compound Name2-[(1S,2R)-2-hydroxy-1-(1,2,4-oxadiazol-5-yl)propyl]-2,5-diazaspiro[3.4]octan-3-one
PubChem CID78319061
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name2-[(1S,2R)-2-hydroxy-1-(1,2,4-oxadiazol-5-yl)propyl]-2,5-diazaspiro[3.4]octan-3-one
SMILESC[C@@H](O)[C@@H](c1ncno1)N1CC2(CCCN2)C1=O
InChIInChI=1S/C11H16N4O3/c1-7(16)8(9-12-6-14-18-9)15-5-11(10(15)17)3-2-4-13-11/h6-8,13,16H,2-5H2,1H3/t7-,8+,11?/m1/s1
InChIKeyOKKGITXDURJUJY-IXIJJPBFSA-N
XLogP-0.54
TPSA91.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2R)-2-hydroxy-1-(1,2,4-oxadiazol-5-yl)propyl]-2,5-diazaspiro[3.4]octan-3-one?
The IUPAC name of 2-[(1S,2R)-2-hydroxy-1-(1,2,4-oxadiazol-5-yl)propyl]-2,5-diazaspiro[3.4]octan-3-one (CID 78319061) is 2-[(1S,2R)-2-hydroxy-1-(1,2,4-oxadiazol-5-yl)propyl]-2,5-diazaspiro[3.4]octan-3-one.
What is the SMILES notation for 2-[(1S,2R)-2-hydroxy-1-(1,2,4-oxadiazol-5-yl)propyl]-2,5-diazaspiro[3.4]octan-3-one?
The canonical SMILES for 2-[(1S,2R)-2-hydroxy-1-(1,2,4-oxadiazol-5-yl)propyl]-2,5-diazaspiro[3.4]octan-3-one is C[C@@H](O)[C@@H](c1ncno1)N1CC2(CCCN2)C1=O.
What is the InChIKey of 2-[(1S,2R)-2-hydroxy-1-(1,2,4-oxadiazol-5-yl)propyl]-2,5-diazaspiro[3.4]octan-3-one?
The InChIKey is OKKGITXDURJUJY-IXIJJPBFSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-7(16)8(9-12-6-14-18-9)15-5-11(10(15)17)3-2-4-13-11/h6-8,13,16H,2-5H2,1H3/t7-,8+,11?/m1/s1.
What are the key properties of 2-[(1S,2R)-2-hydroxy-1-(1,2,4-oxadiazol-5-yl)propyl]-2,5-diazaspiro[3.4]octan-3-one?
2-[(1S,2R)-2-hydroxy-1-(1,2,4-oxadiazol-5-yl)propyl]-2,5-diazaspiro[3.4]octan-3-one has a molecular weight of 252.27 g/mol, XLogP of -0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2R)-2-hydroxy-1-(1,2,4-oxadiazol-5-yl)propyl]-2,5-diazaspiro[3.4]octan-3-one is sourced from PubChem (CID 78319061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).