[2-(1,3-benzodioxol-5-yloxymethyl)-1,3-oxazol-4-yl]-(3-ethylmorpholin-4-yl)methanone

C18H20N2O6 — CID 56703844

IUPAC[2-(1,3-benzodioxol-5-yloxymethyl)-1,3-oxazol-4-yl]-(3-ethylmorpholin-4-yl)methanone
SMILESCCC1COCCN1C(=O)c1coc(COc2ccc3c(c2)OCO3)n1
InChIInChI=1S/C18H20N2O6/c1-2-12-8-22-6-5-20(12)18(21)14-9-24-17(19-14)10-23-13-3-4-15-16(7-13)26-11-25-15/h3-4,7,9,12H,2,5-6,8,10-11H2,1H3
InChIKeyGZVIHUAXAJEHQH-UHFFFAOYSA-N
MW360.37 g/mol
LogP2.23
Rot. Bonds5

About [2-(1,3-benzodioxol-5-yloxymethyl)-1,3-oxazol-4-yl]-(3-ethylmorpholin-4-yl)methanone

[2-(1,3-benzodioxol-5-yloxymethyl)-1,3-oxazol-4-yl]-(3-ethylmorpholin-4-yl)methanone (PubChem CID 56703844) has the molecular formula C18H20N2O6 and a molecular weight of 360.37 g/mol. Its IUPAC name is [2-(1,3-benzodioxol-5-yloxymethyl)-1,3-oxazol-4-yl]-(3-ethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[2-(1,3-benzodioxol-5-yloxymethyl)-1,3-oxazol-4-yl]-(3-ethylmorpholin-4-yl)methanone
PubChem CID56703844
Molecular FormulaC18H20N2O6
Molecular Weight360.37 g/mol
Exact Mass360.13
IUPAC Name[2-(1,3-benzodioxol-5-yloxymethyl)-1,3-oxazol-4-yl]-(3-ethylmorpholin-4-yl)methanone
SMILESCCC1COCCN1C(=O)c1coc(COc2ccc3c(c2)OCO3)n1
InChIInChI=1S/C18H20N2O6/c1-2-12-8-22-6-5-20(12)18(21)14-9-24-17(19-14)10-23-13-3-4-15-16(7-13)26-11-25-15/h3-4,7,9,12H,2,5-6,8,10-11H2,1H3
InChIKeyGZVIHUAXAJEHQH-UHFFFAOYSA-N
XLogP2.23
TPSA83.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-(1,3-benzodioxol-5-yloxymethyl)-1,3-oxazol-4-yl]-(3-ethylmorpholin-4-yl)methanone?
The IUPAC name of [2-(1,3-benzodioxol-5-yloxymethyl)-1,3-oxazol-4-yl]-(3-ethylmorpholin-4-yl)methanone (CID 56703844) is [2-(1,3-benzodioxol-5-yloxymethyl)-1,3-oxazol-4-yl]-(3-ethylmorpholin-4-yl)methanone.
What is the SMILES notation for [2-(1,3-benzodioxol-5-yloxymethyl)-1,3-oxazol-4-yl]-(3-ethylmorpholin-4-yl)methanone?
The canonical SMILES for [2-(1,3-benzodioxol-5-yloxymethyl)-1,3-oxazol-4-yl]-(3-ethylmorpholin-4-yl)methanone is CCC1COCCN1C(=O)c1coc(COc2ccc3c(c2)OCO3)n1.
What is the InChIKey of [2-(1,3-benzodioxol-5-yloxymethyl)-1,3-oxazol-4-yl]-(3-ethylmorpholin-4-yl)methanone?
The InChIKey is GZVIHUAXAJEHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O6/c1-2-12-8-22-6-5-20(12)18(21)14-9-24-17(19-14)10-23-13-3-4-15-16(7-13)26-11-25-15/h3-4,7,9,12H,2,5-6,8,10-11H2,1H3.
What are the key properties of [2-(1,3-benzodioxol-5-yloxymethyl)-1,3-oxazol-4-yl]-(3-ethylmorpholin-4-yl)methanone?
[2-(1,3-benzodioxol-5-yloxymethyl)-1,3-oxazol-4-yl]-(3-ethylmorpholin-4-yl)methanone has a molecular weight of 360.37 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,3-benzodioxol-5-yloxymethyl)-1,3-oxazol-4-yl]-(3-ethylmorpholin-4-yl)methanone is sourced from PubChem (CID 56703844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).