1-(2-methoxyethyl)-8-(5-methyl-1,2-oxazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one

C16H23N3O4 — CID 97397059

IUPAC1-(2-methoxyethyl)-8-(5-methyl-1,2-oxazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
SMILESCOCCN1C(=O)CCC12CCN(C(=O)c1cnoc1C)CC2
InChIInChI=1S/C16H23N3O4/c1-12-13(11-17-23-12)15(21)18-7-5-16(6-8-18)4-3-14(20)19(16)9-10-22-2/h11H,3-10H2,1-2H3
InChIKeyZFLXBRZXRCVSET-UHFFFAOYSA-N
MW321.38 g/mol
LogP1.23
Rot. Bonds4

About 1-(2-methoxyethyl)-8-(5-methyl-1,2-oxazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one

1-(2-methoxyethyl)-8-(5-methyl-1,2-oxazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 97397059) has the molecular formula C16H23N3O4 and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-8-(5-methyl-1,2-oxazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-(2-methoxyethyl)-8-(5-methyl-1,2-oxazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
PubChem CID97397059
Molecular FormulaC16H23N3O4
Molecular Weight321.38 g/mol
Exact Mass321.17
IUPAC Name1-(2-methoxyethyl)-8-(5-methyl-1,2-oxazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
SMILESCOCCN1C(=O)CCC12CCN(C(=O)c1cnoc1C)CC2
InChIInChI=1S/C16H23N3O4/c1-12-13(11-17-23-12)15(21)18-7-5-16(6-8-18)4-3-14(20)19(16)9-10-22-2/h11H,3-10H2,1-2H3
InChIKeyZFLXBRZXRCVSET-UHFFFAOYSA-N
XLogP1.23
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 ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-8-(5-methyl-1,2-oxazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 1-(2-methoxyethyl)-8-(5-methyl-1,2-oxazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one (CID 97397059) is 1-(2-methoxyethyl)-8-(5-methyl-1,2-oxazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-(2-methoxyethyl)-8-(5-methyl-1,2-oxazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 1-(2-methoxyethyl)-8-(5-methyl-1,2-oxazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one is COCCN1C(=O)CCC12CCN(C(=O)c1cnoc1C)CC2.
What is the InChIKey of 1-(2-methoxyethyl)-8-(5-methyl-1,2-oxazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is ZFLXBRZXRCVSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4/c1-12-13(11-17-23-12)15(21)18-7-5-16(6-8-18)4-3-14(20)19(16)9-10-22-2/h11H,3-10H2,1-2H3.
What are the key properties of 1-(2-methoxyethyl)-8-(5-methyl-1,2-oxazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one?
1-(2-methoxyethyl)-8-(5-methyl-1,2-oxazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 321.38 g/mol, XLogP of 1.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-8-(5-methyl-1,2-oxazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 97397059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).