2-(2-methoxyethyl)-8-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2,8-diazaspiro[5.5]undecan-3-one

C19H32N4O3 — CID 70774935

IUPAC2-(2-methoxyethyl)-8-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESCOCCN1CC2(CCCN(Cc3noc(CC(C)C)n3)C2)CCC1=O
InChIInChI=1S/C19H32N4O3/c1-15(2)11-17-20-16(21-26-17)12-22-8-4-6-19(13-22)7-5-18(24)23(14-19)9-10-25-3/h15H,4-14H2,1-3H3
InChIKeyIYZKZPXYJAWCHP-UHFFFAOYSA-N
MW364.49 g/mol
LogP2.12
Rot. Bonds7

About 2-(2-methoxyethyl)-8-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2,8-diazaspiro[5.5]undecan-3-one

2-(2-methoxyethyl)-8-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 70774935) has the molecular formula C19H32N4O3 and a molecular weight of 364.49 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-8-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(2-methoxyethyl)-8-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID70774935
Molecular FormulaC19H32N4O3
Molecular Weight364.49 g/mol
Exact Mass364.25
IUPAC Name2-(2-methoxyethyl)-8-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESCOCCN1CC2(CCCN(Cc3noc(CC(C)C)n3)C2)CCC1=O
InChIInChI=1S/C19H32N4O3/c1-15(2)11-17-20-16(21-26-17)12-22-8-4-6-19(13-22)7-5-18(24)23(14-19)9-10-25-3/h15H,4-14H2,1-3H3
InChIKeyIYZKZPXYJAWCHP-UHFFFAOYSA-N
XLogP2.12
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(6S)-8-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-(3-methoxypropyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95870181
8-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70736760
(6R)-8-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(3-methoxypropyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95868324
(6S)-8-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(3-methoxypropyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95868323
(6S)-2-(2-methoxyethyl)-8-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 97116269
8-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-propan-2-yl-2,8-diazaspiro[5.5]undecan-3-one
CID 70769304
(6S)-2-(2-methoxyethyl)-8-[(1,3,5-trimethylpyrazol-4-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 96576917
8-[(2-amino-3-pyridinyl)methyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70731550
2-(2-methoxyethyl)-9-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70727906
5-[[2-(3-methylbutyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1,2,4-oxadiazole-3-carboxamide
CID 70755169
2-(2-methoxyethyl)-8-[(1-methylindol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70768959
2-(2-methoxyethyl)-8-[(1-methylindol-6-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70727994

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-8-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(2-methoxyethyl)-8-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2,8-diazaspiro[5.5]undecan-3-one (CID 70774935) is 2-(2-methoxyethyl)-8-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(2-methoxyethyl)-8-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(2-methoxyethyl)-8-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2,8-diazaspiro[5.5]undecan-3-one is COCCN1CC2(CCCN(Cc3noc(CC(C)C)n3)C2)CCC1=O.
What is the InChIKey of 2-(2-methoxyethyl)-8-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is IYZKZPXYJAWCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O3/c1-15(2)11-17-20-16(21-26-17)12-22-8-4-6-19(13-22)7-5-18(24)23(14-19)9-10-25-3/h15H,4-14H2,1-3H3.
What are the key properties of 2-(2-methoxyethyl)-8-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2,8-diazaspiro[5.5]undecan-3-one?
2-(2-methoxyethyl)-8-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 364.49 g/mol, XLogP of 2.12, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-8-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70774935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).