2-(3,5-diethyl-1,2-oxazol-4-yl)-1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)ethanone

C16H24N2O4 — CID 75391503

IUPAC2-(3,5-diethyl-1,2-oxazol-4-yl)-1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)ethanone
SMILESCCc1noc(CC)c1CC(=O)N1CCCC2(C1)OCCO2
InChIInChI=1S/C16H24N2O4/c1-3-13-12(14(4-2)22-17-13)10-15(19)18-7-5-6-16(11-18)20-8-9-21-16/h3-11H2,1-2H3
InChIKeyZKNNMIPXAQAMCA-UHFFFAOYSA-N
MW308.38 g/mol
LogP1.71
Rot. Bonds4

About 2-(3,5-diethyl-1,2-oxazol-4-yl)-1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)ethanone

2-(3,5-diethyl-1,2-oxazol-4-yl)-1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)ethanone (PubChem CID 75391503) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-(3,5-diethyl-1,2-oxazol-4-yl)-1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)ethanone.

Molecular Properties

Compound Name2-(3,5-diethyl-1,2-oxazol-4-yl)-1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)ethanone
PubChem CID75391503
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Name2-(3,5-diethyl-1,2-oxazol-4-yl)-1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)ethanone
SMILESCCc1noc(CC)c1CC(=O)N1CCCC2(C1)OCCO2
InChIInChI=1S/C16H24N2O4/c1-3-13-12(14(4-2)22-17-13)10-15(19)18-7-5-6-16(11-18)20-8-9-21-16/h3-11H2,1-2H3
InChIKeyZKNNMIPXAQAMCA-UHFFFAOYSA-N
XLogP1.71
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-aminopiperidin-1-yl)-2-(3,5-diethyl-1,2-oxazol-4-yl)ethanone
CID 119378216
2-(3,5-diethyl-1,2-oxazol-4-yl)-1-[3-(methylamino)piperidin-1-yl]ethanone
CID 119488937
(3S)-1-[2-(3,5-diethyl-1,2-oxazol-4-yl)acetyl]piperidine-3-carboxylic acid
CID 129381236
(3S)-1-[2-(3,5-diethyl-1,2-oxazol-4-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 124684647
1-[(4aR,8aR)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-2-(3,5-diethyl-1,2-oxazol-4-yl)ethanone
CID 129346840
1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-3-methylpentan-1-one
CID 114874861
1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)heptan-1-one
CID 115775416
(2R)-2-[4-[2-(3,5-diethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-3-methylbutanenitrile
CID 97051175
1-[(2S)-2-(aminomethyl)piperidin-1-yl]-2-(3,5-diethyl-1,2-oxazol-4-yl)ethanone
CID 124573415
1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 112602810
1-[2-(aminomethyl)piperidin-1-yl]-2-(3,5-diethyl-1,2-oxazol-4-yl)ethanone;hydrochloride
CID 119466989
1-[(2S,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-2-(3,5-diethyl-1,2-oxazol-4-yl)ethanone
CID 124684633

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-diethyl-1,2-oxazol-4-yl)-1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)ethanone?
The IUPAC name of 2-(3,5-diethyl-1,2-oxazol-4-yl)-1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)ethanone (CID 75391503) is 2-(3,5-diethyl-1,2-oxazol-4-yl)-1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)ethanone.
What is the SMILES notation for 2-(3,5-diethyl-1,2-oxazol-4-yl)-1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)ethanone?
The canonical SMILES for 2-(3,5-diethyl-1,2-oxazol-4-yl)-1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)ethanone is CCc1noc(CC)c1CC(=O)N1CCCC2(C1)OCCO2.
What is the InChIKey of 2-(3,5-diethyl-1,2-oxazol-4-yl)-1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)ethanone?
The InChIKey is ZKNNMIPXAQAMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-3-13-12(14(4-2)22-17-13)10-15(19)18-7-5-6-16(11-18)20-8-9-21-16/h3-11H2,1-2H3.
What are the key properties of 2-(3,5-diethyl-1,2-oxazol-4-yl)-1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)ethanone?
2-(3,5-diethyl-1,2-oxazol-4-yl)-1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)ethanone has a molecular weight of 308.38 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-diethyl-1,2-oxazol-4-yl)-1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)ethanone is sourced from PubChem (CID 75391503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).