2-(2-methoxyethyl)-9-(5-phenyl-1,2,4-oxadiazol-3-yl)-2,9-diazaspiro[5.5]undecan-3-one

C20H26N4O3 — CID 70731379

IUPAC2-(2-methoxyethyl)-9-(5-phenyl-1,2,4-oxadiazol-3-yl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCOCCN1CC2(CCC1=O)CCN(c1noc(-c3ccccc3)n1)CC2
InChIInChI=1S/C20H26N4O3/c1-26-14-13-24-15-20(8-7-17(24)25)9-11-23(12-10-20)19-21-18(27-22-19)16-5-3-2-4-6-16/h2-6H,7-15H2,1H3
InChIKeyLOHMDSZKTXOBDU-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.59
Rot. Bonds5

About 2-(2-methoxyethyl)-9-(5-phenyl-1,2,4-oxadiazol-3-yl)-2,9-diazaspiro[5.5]undecan-3-one

2-(2-methoxyethyl)-9-(5-phenyl-1,2,4-oxadiazol-3-yl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 70731379) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-9-(5-phenyl-1,2,4-oxadiazol-3-yl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(2-methoxyethyl)-9-(5-phenyl-1,2,4-oxadiazol-3-yl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID70731379
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name2-(2-methoxyethyl)-9-(5-phenyl-1,2,4-oxadiazol-3-yl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCOCCN1CC2(CCC1=O)CCN(c1noc(-c3ccccc3)n1)CC2
InChIInChI=1S/C20H26N4O3/c1-26-14-13-24-15-20(8-7-17(24)25)9-11-23(12-10-20)19-21-18(27-22-19)16-5-3-2-4-6-16/h2-6H,7-15H2,1H3
InChIKeyLOHMDSZKTXOBDU-UHFFFAOYSA-N
XLogP2.59
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-methoxyethyl)-9-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70727906
9-(benzenesulfonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72915450
2-(2-methoxyethyl)-9-(1-phenylcyclopropanecarbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72889857
2-(2-methoxyethyl)-9-(4-oxo-4-phenylbutyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70750468
2-(2-methoxyethyl)-9-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 98894775
2-(2-methoxyethyl)-9-[2-(4-methoxyphenoxy)ethyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70733806
(5S)-3-methyl-9-(5-phenyl-1,2,4-oxadiazol-3-yl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95717468
9-[2-(dimethylamino)-6-methylpyrimidin-4-yl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70785590
2-(2-methoxyethyl)-9-[(2R)-3-methyl-2-phenylbutanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97152362
3-[(1S,5S)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-5-phenyl-1,2,4-oxadiazole
CID 133129510
8-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-(3-methoxypropyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70788480
2-(3-methoxypropyl)-9-[(3-methyl-1,2-oxazol-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70749883

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-9-(5-phenyl-1,2,4-oxadiazol-3-yl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(2-methoxyethyl)-9-(5-phenyl-1,2,4-oxadiazol-3-yl)-2,9-diazaspiro[5.5]undecan-3-one (CID 70731379) is 2-(2-methoxyethyl)-9-(5-phenyl-1,2,4-oxadiazol-3-yl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(2-methoxyethyl)-9-(5-phenyl-1,2,4-oxadiazol-3-yl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(2-methoxyethyl)-9-(5-phenyl-1,2,4-oxadiazol-3-yl)-2,9-diazaspiro[5.5]undecan-3-one is COCCN1CC2(CCC1=O)CCN(c1noc(-c3ccccc3)n1)CC2.
What is the InChIKey of 2-(2-methoxyethyl)-9-(5-phenyl-1,2,4-oxadiazol-3-yl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is LOHMDSZKTXOBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-26-14-13-24-15-20(8-7-17(24)25)9-11-23(12-10-20)19-21-18(27-22-19)16-5-3-2-4-6-16/h2-6H,7-15H2,1H3.
What are the key properties of 2-(2-methoxyethyl)-9-(5-phenyl-1,2,4-oxadiazol-3-yl)-2,9-diazaspiro[5.5]undecan-3-one?
2-(2-methoxyethyl)-9-(5-phenyl-1,2,4-oxadiazol-3-yl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 370.45 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-9-(5-phenyl-1,2,4-oxadiazol-3-yl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70731379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).