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

C18H20N2O6 — CID 56714695

IUPAC[2-(1,3-benzodioxol-5-yloxymethyl)-1,3-oxazol-4-yl]-(2,2-dimethylmorpholin-4-yl)methanone
SMILESCC1(C)CN(C(=O)c2coc(COc3ccc4c(c3)OCO4)n2)CCO1
InChIInChI=1S/C18H20N2O6/c1-18(2)10-20(5-6-26-18)17(21)13-8-23-16(19-13)9-22-12-3-4-14-15(7-12)25-11-24-14/h3-4,7-8H,5-6,9-11H2,1-2H3
InChIKeyFMZOCIKMIDOHOO-UHFFFAOYSA-N
MW360.37 g/mol
LogP2.23
Rot. Bonds4

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

[2-(1,3-benzodioxol-5-yloxymethyl)-1,3-oxazol-4-yl]-(2,2-dimethylmorpholin-4-yl)methanone (PubChem CID 56714695) 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]-(2,2-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[2-(1,3-benzodioxol-5-yloxymethyl)-1,3-oxazol-4-yl]-(2,2-dimethylmorpholin-4-yl)methanone
PubChem CID56714695
Molecular FormulaC18H20N2O6
Molecular Weight360.37 g/mol
Exact Mass360.13
IUPAC Name[2-(1,3-benzodioxol-5-yloxymethyl)-1,3-oxazol-4-yl]-(2,2-dimethylmorpholin-4-yl)methanone
SMILESCC1(C)CN(C(=O)c2coc(COc3ccc4c(c3)OCO4)n2)CCO1
InChIInChI=1S/C18H20N2O6/c1-18(2)10-20(5-6-26-18)17(21)13-8-23-16(19-13)9-22-12-3-4-14-15(7-12)25-11-24-14/h3-4,7-8H,5-6,9-11H2,1-2H3
InChIKeyFMZOCIKMIDOHOO-UHFFFAOYSA-N
XLogP2.23
TPSA83.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
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]-(2,2-dimethylmorpholin-4-yl)methanone?
The IUPAC name of [2-(1,3-benzodioxol-5-yloxymethyl)-1,3-oxazol-4-yl]-(2,2-dimethylmorpholin-4-yl)methanone (CID 56714695) is [2-(1,3-benzodioxol-5-yloxymethyl)-1,3-oxazol-4-yl]-(2,2-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for [2-(1,3-benzodioxol-5-yloxymethyl)-1,3-oxazol-4-yl]-(2,2-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for [2-(1,3-benzodioxol-5-yloxymethyl)-1,3-oxazol-4-yl]-(2,2-dimethylmorpholin-4-yl)methanone is CC1(C)CN(C(=O)c2coc(COc3ccc4c(c3)OCO4)n2)CCO1.
What is the InChIKey of [2-(1,3-benzodioxol-5-yloxymethyl)-1,3-oxazol-4-yl]-(2,2-dimethylmorpholin-4-yl)methanone?
The InChIKey is FMZOCIKMIDOHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O6/c1-18(2)10-20(5-6-26-18)17(21)13-8-23-16(19-13)9-22-12-3-4-14-15(7-12)25-11-24-14/h3-4,7-8H,5-6,9-11H2,1-2H3.
What are the key properties of [2-(1,3-benzodioxol-5-yloxymethyl)-1,3-oxazol-4-yl]-(2,2-dimethylmorpholin-4-yl)methanone?
[2-(1,3-benzodioxol-5-yloxymethyl)-1,3-oxazol-4-yl]-(2,2-dimethylmorpholin-4-yl)methanone has a molecular weight of 360.37 g/mol, XLogP of 2.23, 4 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]-(2,2-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 56714695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).