8-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-(3-methoxypropyl)-2,8-diazaspiro[5.5]undecan-3-one

C17H28N4O3 — CID 70788480

IUPAC8-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-(3-methoxypropyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCCc1nc(N2CCCC3(CCC(=O)N(CCCOC)C3)C2)no1
InChIInChI=1S/C17H28N4O3/c1-3-14-18-16(19-24-14)21-9-4-7-17(13-21)8-6-15(22)20(12-17)10-5-11-23-2/h3-13H2,1-2H3
InChIKeyNRNPEOGUGVWITO-UHFFFAOYSA-N
MW336.44 g/mol
LogP1.88
Rot. Bonds6

About 8-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-(3-methoxypropyl)-2,8-diazaspiro[5.5]undecan-3-one

8-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-(3-methoxypropyl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 70788480) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is 8-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-(3-methoxypropyl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name8-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-(3-methoxypropyl)-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID70788480
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC Name8-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-(3-methoxypropyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCCc1nc(N2CCCC3(CCC(=O)N(CCCOC)C3)C2)no1
InChIInChI=1S/C17H28N4O3/c1-3-14-18-16(19-24-14)21-9-4-7-17(13-21)8-6-15(22)20(12-17)10-5-11-23-2/h3-13H2,1-2H3
InChIKeyNRNPEOGUGVWITO-UHFFFAOYSA-N
XLogP1.88
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-(3-methoxypropyl)-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 8-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-(3-methoxypropyl)-2,8-diazaspiro[5.5]undecan-3-one (CID 70788480) is 8-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-(3-methoxypropyl)-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 8-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-(3-methoxypropyl)-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 8-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-(3-methoxypropyl)-2,8-diazaspiro[5.5]undecan-3-one is CCc1nc(N2CCCC3(CCC(=O)N(CCCOC)C3)C2)no1.
What is the InChIKey of 8-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-(3-methoxypropyl)-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is NRNPEOGUGVWITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-3-14-18-16(19-24-14)21-9-4-7-17(13-21)8-6-15(22)20(12-17)10-5-11-23-2/h3-13H2,1-2H3.
What are the key properties of 8-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-(3-methoxypropyl)-2,8-diazaspiro[5.5]undecan-3-one?
8-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-(3-methoxypropyl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 336.44 g/mol, XLogP of 1.88, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-(3-methoxypropyl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70788480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).