2-(2-methoxyethoxy)-1-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone

C22H29N3O5 — CID 91924642

IUPAC2-(2-methoxyethoxy)-1-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone
SMILESCOCCOCC(=O)N1CC(c2nnc(-c3ccc(C)cc3)o2)C2(CCOCC2)C1
InChIInChI=1S/C22H29N3O5/c1-16-3-5-17(6-4-16)20-23-24-21(30-20)18-13-25(19(26)14-29-12-11-27-2)15-22(18)7-9-28-10-8-22/h3-6,18H,7-15H2,1-2H3
InChIKeyTVGLQECNYMGKRA-UHFFFAOYSA-N
MW415.49 g/mol
LogP2.43
Rot. Bonds7

About 2-(2-methoxyethoxy)-1-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone

2-(2-methoxyethoxy)-1-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone (PubChem CID 91924642) has the molecular formula C22H29N3O5 and a molecular weight of 415.49 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-1-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone.

Molecular Properties

Compound Name2-(2-methoxyethoxy)-1-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone
PubChem CID91924642
Molecular FormulaC22H29N3O5
Molecular Weight415.49 g/mol
Exact Mass415.21
IUPAC Name2-(2-methoxyethoxy)-1-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone
SMILESCOCCOCC(=O)N1CC(c2nnc(-c3ccc(C)cc3)o2)C2(CCOCC2)C1
InChIInChI=1S/C22H29N3O5/c1-16-3-5-17(6-4-16)20-23-24-21(30-20)18-13-25(19(26)14-29-12-11-27-2)15-22(18)7-9-28-10-8-22/h3-6,18H,7-15H2,1-2H3
InChIKeyTVGLQECNYMGKRA-UHFFFAOYSA-N
XLogP2.43
TPSA86.92 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-3-phenylpropan-1-one
CID 91912405
(3,5-dimethylphenyl)-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone
CID 91912387
2-(3-fluorophenyl)-1-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone
CID 91924644
[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-(1-phenylcyclopropyl)methanone
CID 91924656
[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-(5-methylthiophen-2-yl)methanone
CID 91912389
[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-thiophen-2-ylmethanone
CID 91912379
2-cyclohexyl-1-[(4R)-4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone
CID 99745885
3-(3,5-dimethylpyrazol-1-yl)-1-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one
CID 91924681
N-(3-ethoxypropyl)-4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 91924683
2,2-dimethyl-1-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one
CID 91924722
4-phenyl-1-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]butan-1-one
CID 91912436
(3-methoxyphenyl)-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone
CID 91912523

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)-1-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone?
The IUPAC name of 2-(2-methoxyethoxy)-1-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone (CID 91924642) is 2-(2-methoxyethoxy)-1-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone.
What is the SMILES notation for 2-(2-methoxyethoxy)-1-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone?
The canonical SMILES for 2-(2-methoxyethoxy)-1-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone is COCCOCC(=O)N1CC(c2nnc(-c3ccc(C)cc3)o2)C2(CCOCC2)C1.
What is the InChIKey of 2-(2-methoxyethoxy)-1-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone?
The InChIKey is TVGLQECNYMGKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O5/c1-16-3-5-17(6-4-16)20-23-24-21(30-20)18-13-25(19(26)14-29-12-11-27-2)15-22(18)7-9-28-10-8-22/h3-6,18H,7-15H2,1-2H3.
What are the key properties of 2-(2-methoxyethoxy)-1-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone?
2-(2-methoxyethoxy)-1-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone has a molecular weight of 415.49 g/mol, XLogP of 2.43, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)-1-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone is sourced from PubChem (CID 91924642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).