8-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C20H32N4O5 — CID 70762400

IUPAC8-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCOCCN(C)CCN1CC2(CCN(C(=O)Cc3c(C)noc3C)CC2)OC1=O
InChIInChI=1S/C20H32N4O5/c1-15-17(16(2)29-21-15)13-18(25)23-7-5-20(6-8-23)14-24(19(26)28-20)10-9-22(3)11-12-27-4/h5-14H2,1-4H3
InChIKeySEDBCXIGYAOCOL-UHFFFAOYSA-N
MW408.50 g/mol
LogP1.23
Rot. Bonds8

About 8-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 70762400) has the molecular formula C20H32N4O5 and a molecular weight of 408.50 g/mol. Its IUPAC name is 8-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID70762400
Molecular FormulaC20H32N4O5
Molecular Weight408.50 g/mol
Exact Mass408.24
IUPAC Name8-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCOCCN(C)CCN1CC2(CCN(C(=O)Cc3c(C)noc3C)CC2)OC1=O
InChIInChI=1S/C20H32N4O5/c1-15-17(16(2)29-21-15)13-18(25)23-7-5-20(6-8-23)14-24(19(26)28-20)10-9-22(3)11-12-27-4/h5-14H2,1-4H3
InChIKeySEDBCXIGYAOCOL-UHFFFAOYSA-N
XLogP1.23
TPSA88.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 8-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one with MolForge

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Related Compounds

8-[2-(azepan-1-yl)acetyl]-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70734112
8-(2-ethylpyrimidine-5-carbonyl)-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70726094
8-[(2R)-2-amino-3-methylbutanoyl]-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;dihydrochloride
CID 154896333
3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-[(3-methylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70731676
(3S)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-3-methylpyrrolidine-3-carboxylic acid
CID 95020300
1-(4-cyclopropylidenepiperidin-1-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 121184167
1-(4-acetyl-1,4-diazepan-1-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 51075305
N-[1'-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 134789349
3-[2-[methyl(2-phenylethyl)amino]ethyl]-8-(1H-pyrrole-2-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70711147
3-[2-[cyclohexyl(methyl)amino]ethyl]-8-(2-ethoxyacetyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70745840
8-methyl-3-[2-[methyl(2-methylpropyl)amino]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70767297
CID 134790259
CID 134790259

Frequently Asked Questions

What is the IUPAC name of 8-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 70762400) is 8-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is COCCN(C)CCN1CC2(CCN(C(=O)Cc3c(C)noc3C)CC2)OC1=O.
What is the InChIKey of 8-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is SEDBCXIGYAOCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O5/c1-15-17(16(2)29-21-15)13-18(25)23-7-5-20(6-8-23)14-24(19(26)28-20)10-9-22(3)11-12-27-4/h5-14H2,1-4H3.
What are the key properties of 8-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 408.50 g/mol, XLogP of 1.23, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 70762400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).