[3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-(1,3-thiazol-4-yl)methanone

C15H22N2O3S — CID 118741104

IUPAC[3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-(1,3-thiazol-4-yl)methanone
SMILESCCOCC1CC2(CCN(C(=O)c3cscn3)CC2)CO1
InChIInChI=1S/C15H22N2O3S/c1-2-19-8-12-7-15(10-20-12)3-5-17(6-4-15)14(18)13-9-21-11-16-13/h9,11-12H,2-8,10H2,1H3
InChIKeyLQYUOAONEQEFKD-UHFFFAOYSA-N
MW310.42 g/mol
LogP2.19
Rot. Bonds4

About [3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-(1,3-thiazol-4-yl)methanone

[3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 118741104) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is [3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID118741104
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name[3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-(1,3-thiazol-4-yl)methanone
SMILESCCOCC1CC2(CCN(C(=O)c3cscn3)CC2)CO1
InChIInChI=1S/C15H22N2O3S/c1-2-19-8-12-7-15(10-20-12)3-5-17(6-4-15)14(18)13-9-21-11-16-13/h9,11-12H,2-8,10H2,1H3
InChIKeyLQYUOAONEQEFKD-UHFFFAOYSA-N
XLogP2.19
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-(1,3-thiazol-4-yl)methanone (CID 118741104) is [3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-(1,3-thiazol-4-yl)methanone is CCOCC1CC2(CCN(C(=O)c3cscn3)CC2)CO1.
What is the InChIKey of [3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is LQYUOAONEQEFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-2-19-8-12-7-15(10-20-12)3-5-17(6-4-15)14(18)13-9-21-11-16-13/h9,11-12H,2-8,10H2,1H3.
What are the key properties of [3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-(1,3-thiazol-4-yl)methanone?
[3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 310.42 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 118741104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).