5-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)-1,3-oxazolidin-2-one

C13H23N3O2 — CID 102850340

IUPAC5-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)-1,3-oxazolidin-2-one
SMILESO=C1NCC(CN2CCCC3(CCCNC3)C2)O1
InChIInChI=1S/C13H23N3O2/c17-12-15-7-11(18-12)8-16-6-2-4-13(10-16)3-1-5-14-9-13/h11,14H,1-10H2,(H,15,17)
InChIKeyZBTIOLCGDCHVBI-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.56
Rot. Bonds2

About 5-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)-1,3-oxazolidin-2-one

5-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)-1,3-oxazolidin-2-one (PubChem CID 102850340) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 5-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)-1,3-oxazolidin-2-one
PubChem CID102850340
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name5-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)-1,3-oxazolidin-2-one
SMILESO=C1NCC(CN2CCCC3(CCCNC3)C2)O1
InChIInChI=1S/C13H23N3O2/c17-12-15-7-11(18-12)8-16-6-2-4-13(10-16)3-1-5-14-9-13/h11,14H,1-10H2,(H,15,17)
InChIKeyZBTIOLCGDCHVBI-UHFFFAOYSA-N
XLogP0.56
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclobutylmethyl)-2,8-diazaspiro[5.5]undecane
CID 102849456
2-(oxolan-3-ylmethyl)-2,8-diazaspiro[5.5]undecane
CID 102849336
2-(2-adamantylmethyl)-2,8-diazaspiro[5.5]undecane
CID 82038730
(5R)-5-[[(3S)-3-aminopyrrolidin-1-yl]methyl]-1,3-oxazolidin-2-one
CID 124573390
2-(2,8-diazaspiro[5.5]undecan-2-yl)acetamide
CID 102850141
6-(2,8-diazaspiro[5.5]undecan-2-yl)hexan-1-ol
CID 107705688
5-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,3-oxazolidin-2-one
CID 54885668
3-(2,8-diazaspiro[5.5]undecan-2-yl)azepan-2-one
CID 102850218
2-[(2,4,6-trimethylphenyl)methyl]-2,8-diazaspiro[5.5]undecane
CID 102849325
7-(piperidin-4-ylmethyl)-2,7-diazaspiro[4.5]decan-3-one;hydrochloride
CID 119932073
2-(3-ethoxypropyl)-2,8-diazaspiro[5.5]undecane
CID 102850195
2-[(2,5-dichlorophenyl)methyl]-2,8-diazaspiro[5.5]undecane
CID 82038748

Frequently Asked Questions

What is the IUPAC name of 5-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)-1,3-oxazolidin-2-one (CID 102850340) is 5-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)-1,3-oxazolidin-2-one is O=C1NCC(CN2CCCC3(CCCNC3)C2)O1.
What is the InChIKey of 5-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)-1,3-oxazolidin-2-one?
The InChIKey is ZBTIOLCGDCHVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c17-12-15-7-11(18-12)8-16-6-2-4-13(10-16)3-1-5-14-9-13/h11,14H,1-10H2,(H,15,17).
What are the key properties of 5-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)-1,3-oxazolidin-2-one?
5-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 253.35 g/mol, XLogP of 0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 102850340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).