2-(2-methoxyethyl)-8-(5-methyl-1,2-oxazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one

C16H23N3O4 — CID 98896118

IUPAC2-(2-methoxyethyl)-8-(5-methyl-1,2-oxazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCOCCN1CC2(CCN(C(=O)c3cnoc3C)CC2)CC1=O
InChIInChI=1S/C16H23N3O4/c1-12-13(10-17-23-12)15(21)18-5-3-16(4-6-18)9-14(20)19(11-16)7-8-22-2/h10H,3-9,11H2,1-2H3
InChIKeyKAYRVFPSBCNSNC-UHFFFAOYSA-N
MW321.38 g/mol
LogP1.08
Rot. Bonds4

About 2-(2-methoxyethyl)-8-(5-methyl-1,2-oxazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one

2-(2-methoxyethyl)-8-(5-methyl-1,2-oxazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 98896118) has the molecular formula C16H23N3O4 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-8-(5-methyl-1,2-oxazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-(2-methoxyethyl)-8-(5-methyl-1,2-oxazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
PubChem CID98896118
Molecular FormulaC16H23N3O4
Molecular Weight321.38 g/mol
Exact Mass321.17
IUPAC Name2-(2-methoxyethyl)-8-(5-methyl-1,2-oxazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCOCCN1CC2(CCN(C(=O)c3cnoc3C)CC2)CC1=O
InChIInChI=1S/C16H23N3O4/c1-12-13(10-17-23-12)15(21)18-5-3-16(4-6-18)9-14(20)19(11-16)7-8-22-2/h10H,3-9,11H2,1-2H3
InChIKeyKAYRVFPSBCNSNC-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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Related Compounds

8-(5,6-dimethylpyrimidine-4-carbonyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-3-one
CID 131686555
8-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-3-one
CID 131686885
(5S)-7-(5-methyl-1,2-oxazole-4-carbonyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one
CID 97399123
2-(2-methoxyethyl)-8-(oxane-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 98896376
(4,4-difluoropiperidin-1-yl)-(5-methyl-1,2-oxazol-4-yl)methanone
CID 121184594
9-(2,5-dimethylbenzoyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72858674
9-(3-fluoropyridine-4-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 98897253
6-(2-methoxyethyl)-1-(5-methyl-1,2-oxazole-4-carbonyl)-3a-phenyl-2,3,4,5,8,8a-hexahydropyrrolo[2,3-d]azepin-7-one
CID 131670607
2-(2-methoxyethyl)-9-(2,4,6-trimethylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72876264
8-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one
CID 72927770
2-(3-methoxypropyl)-8-[3-(4-methylpyrazol-1-yl)propanoyl]-2,8-diazaspiro[4.5]decan-3-one
CID 72851928
2-(2-methoxyethyl)-9-(1-methylimidazole-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 124814570

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-8-(5-methyl-1,2-oxazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 2-(2-methoxyethyl)-8-(5-methyl-1,2-oxazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one (CID 98896118) is 2-(2-methoxyethyl)-8-(5-methyl-1,2-oxazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-(2-methoxyethyl)-8-(5-methyl-1,2-oxazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 2-(2-methoxyethyl)-8-(5-methyl-1,2-oxazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one is COCCN1CC2(CCN(C(=O)c3cnoc3C)CC2)CC1=O.
What is the InChIKey of 2-(2-methoxyethyl)-8-(5-methyl-1,2-oxazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is KAYRVFPSBCNSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4/c1-12-13(10-17-23-12)15(21)18-5-3-16(4-6-18)9-14(20)19(11-16)7-8-22-2/h10H,3-9,11H2,1-2H3.
What are the key properties of 2-(2-methoxyethyl)-8-(5-methyl-1,2-oxazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one?
2-(2-methoxyethyl)-8-(5-methyl-1,2-oxazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-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)-8-(5-methyl-1,2-oxazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 98896118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).