2-(2-methoxyethyl)-9-(5-methyl-1,2-oxazole-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one

C16H23N3O4 — CID 118739765

IUPAC2-(2-methoxyethyl)-9-(5-methyl-1,2-oxazole-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one
SMILESCOCCN1CCC2(CCCN(C(=O)c3cnoc3C)C2)C1=O
InChIInChI=1S/C16H23N3O4/c1-12-13(10-17-23-12)14(20)19-6-3-4-16(11-19)5-7-18(15(16)21)8-9-22-2/h10H,3-9,11H2,1-2H3
InChIKeyDSPVBJUEOOUFAC-UHFFFAOYSA-N
MW321.38 g/mol
LogP1.08
Rot. Bonds4

About 2-(2-methoxyethyl)-9-(5-methyl-1,2-oxazole-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one

2-(2-methoxyethyl)-9-(5-methyl-1,2-oxazole-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 118739765) has the molecular formula C16H23N3O4 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-9-(5-methyl-1,2-oxazole-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-(2-methoxyethyl)-9-(5-methyl-1,2-oxazole-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one
PubChem CID118739765
Molecular FormulaC16H23N3O4
Molecular Weight321.38 g/mol
Exact Mass321.17
IUPAC Name2-(2-methoxyethyl)-9-(5-methyl-1,2-oxazole-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one
SMILESCOCCN1CCC2(CCCN(C(=O)c3cnoc3C)C2)C1=O
InChIInChI=1S/C16H23N3O4/c1-12-13(10-17-23-12)14(20)19-6-3-4-16(11-19)5-7-18(15(16)21)8-9-22-2/h10H,3-9,11H2,1-2H3
InChIKeyDSPVBJUEOOUFAC-UHFFFAOYSA-N
XLogP1.08
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-9-(5-methyl-1,2-oxazole-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of 2-(2-methoxyethyl)-9-(5-methyl-1,2-oxazole-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one (CID 118739765) is 2-(2-methoxyethyl)-9-(5-methyl-1,2-oxazole-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-(2-methoxyethyl)-9-(5-methyl-1,2-oxazole-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 2-(2-methoxyethyl)-9-(5-methyl-1,2-oxazole-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one is COCCN1CCC2(CCCN(C(=O)c3cnoc3C)C2)C1=O.
What is the InChIKey of 2-(2-methoxyethyl)-9-(5-methyl-1,2-oxazole-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is DSPVBJUEOOUFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4/c1-12-13(10-17-23-12)14(20)19-6-3-4-16(11-19)5-7-18(15(16)21)8-9-22-2/h10H,3-9,11H2,1-2H3.
What are the key properties of 2-(2-methoxyethyl)-9-(5-methyl-1,2-oxazole-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one?
2-(2-methoxyethyl)-9-(5-methyl-1,2-oxazole-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 321.38 g/mol, XLogP of 1.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-9-(5-methyl-1,2-oxazole-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 118739765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).