2-(2-methoxyethyl)-9-(5-methyl-1,2-oxazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one

C17H25N3O4 — CID 98896923

IUPAC2-(2-methoxyethyl)-9-(5-methyl-1,2-oxazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCOCCN1CC2(CCC1=O)CCN(C(=O)c1cnoc1C)CC2
InChIInChI=1S/C17H25N3O4/c1-13-14(11-18-24-13)16(22)19-7-5-17(6-8-19)4-3-15(21)20(12-17)9-10-23-2/h11H,3-10,12H2,1-2H3
InChIKeyFBHLNFWUBUJIBB-UHFFFAOYSA-N
MW335.40 g/mol
LogP1.47
Rot. Bonds4

About 2-(2-methoxyethyl)-9-(5-methyl-1,2-oxazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one

2-(2-methoxyethyl)-9-(5-methyl-1,2-oxazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 98896923) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-9-(5-methyl-1,2-oxazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(2-methoxyethyl)-9-(5-methyl-1,2-oxazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID98896923
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC Name2-(2-methoxyethyl)-9-(5-methyl-1,2-oxazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCOCCN1CC2(CCC1=O)CCN(C(=O)c1cnoc1C)CC2
InChIInChI=1S/C17H25N3O4/c1-13-14(11-18-24-13)16(22)19-7-5-17(6-8-19)4-3-15(21)20(12-17)9-10-23-2/h11H,3-10,12H2,1-2H3
InChIKeyFBHLNFWUBUJIBB-UHFFFAOYSA-N
XLogP1.47
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 51.47
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[5.5]undecan-3-one?
The IUPAC name of 2-(2-methoxyethyl)-9-(5-methyl-1,2-oxazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 98896923) is 2-(2-methoxyethyl)-9-(5-methyl-1,2-oxazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(2-methoxyethyl)-9-(5-methyl-1,2-oxazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(2-methoxyethyl)-9-(5-methyl-1,2-oxazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one is COCCN1CC2(CCC1=O)CCN(C(=O)c1cnoc1C)CC2.
What is the InChIKey of 2-(2-methoxyethyl)-9-(5-methyl-1,2-oxazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is FBHLNFWUBUJIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-13-14(11-18-24-13)16(22)19-7-5-17(6-8-19)4-3-15(21)20(12-17)9-10-23-2/h11H,3-10,12H2,1-2H3.
What are the key properties of 2-(2-methoxyethyl)-9-(5-methyl-1,2-oxazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
2-(2-methoxyethyl)-9-(5-methyl-1,2-oxazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 335.40 g/mol, XLogP of 1.47, 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[5.5]undecan-3-one is sourced from PubChem (CID 98896923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).