3-[[2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-5-methyl-1,2-oxazole

C18H31N3O3 — CID 131643610

IUPAC3-[[2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-5-methyl-1,2-oxazole
SMILESCOCCN1CC2(CCN(Cc3cc(C)on3)CC2)CC1COC
InChIInChI=1S/C18H31N3O3/c1-15-10-16(19-24-15)12-20-6-4-18(5-7-20)11-17(13-23-3)21(14-18)8-9-22-2/h10,17H,4-9,11-14H2,1-3H3
InChIKeyBEULSADPWJXPQO-UHFFFAOYSA-N
MW337.46 g/mol
LogP1.93
Rot. Bonds7

About 3-[[2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-5-methyl-1,2-oxazole

3-[[2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-5-methyl-1,2-oxazole (PubChem CID 131643610) has the molecular formula C18H31N3O3 and a molecular weight of 337.46 g/mol. Its IUPAC name is 3-[[2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[[2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-5-methyl-1,2-oxazole
PubChem CID131643610
Molecular FormulaC18H31N3O3
Molecular Weight337.46 g/mol
Exact Mass337.24
IUPAC Name3-[[2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-5-methyl-1,2-oxazole
SMILESCOCCN1CC2(CCN(Cc3cc(C)on3)CC2)CC1COC
InChIInChI=1S/C18H31N3O3/c1-15-10-16(19-24-15)12-20-6-4-18(5-7-20)11-17(13-23-3)21(14-18)8-9-22-2/h10,17H,4-9,11-14H2,1-3H3
InChIKeyBEULSADPWJXPQO-UHFFFAOYSA-N
XLogP1.93
TPSA50.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[[2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-5-methyl-1,2-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[[2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-5-methyl-1,2-oxazole (CID 131643610) is 3-[[2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[[2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[[2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-5-methyl-1,2-oxazole is COCCN1CC2(CCN(Cc3cc(C)on3)CC2)CC1COC.
What is the InChIKey of 3-[[2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-5-methyl-1,2-oxazole?
The InChIKey is BEULSADPWJXPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O3/c1-15-10-16(19-24-15)12-20-6-4-18(5-7-20)11-17(13-23-3)21(14-18)8-9-22-2/h10,17H,4-9,11-14H2,1-3H3.
What are the key properties of 3-[[2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-5-methyl-1,2-oxazole?
3-[[2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-5-methyl-1,2-oxazole has a molecular weight of 337.46 g/mol, XLogP of 1.93, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 131643610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).