2-(1,3-benzodioxol-5-yloxymethyl)-N-(1,4-dioxan-2-ylmethyl)-N-methyl-1,3-oxazole-4-carboxamide

C18H20N2O7 — CID 56703364

IUPAC2-(1,3-benzodioxol-5-yloxymethyl)-N-(1,4-dioxan-2-ylmethyl)-N-methyl-1,3-oxazole-4-carboxamide
SMILESCN(CC1COCCO1)C(=O)c1coc(COc2ccc3c(c2)OCO3)n1
InChIInChI=1S/C18H20N2O7/c1-20(7-13-8-22-4-5-23-13)18(21)14-9-25-17(19-14)10-24-12-2-3-15-16(6-12)27-11-26-15/h2-3,6,9,13H,4-5,7-8,10-11H2,1H3
InChIKeyVVSFOQJDNZDVBP-UHFFFAOYSA-N
MW376.37 g/mol
LogP1.47
Rot. Bonds6

About 2-(1,3-benzodioxol-5-yloxymethyl)-N-(1,4-dioxan-2-ylmethyl)-N-methyl-1,3-oxazole-4-carboxamide

2-(1,3-benzodioxol-5-yloxymethyl)-N-(1,4-dioxan-2-ylmethyl)-N-methyl-1,3-oxazole-4-carboxamide (PubChem CID 56703364) has the molecular formula C18H20N2O7 and a molecular weight of 376.37 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yloxymethyl)-N-(1,4-dioxan-2-ylmethyl)-N-methyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yloxymethyl)-N-(1,4-dioxan-2-ylmethyl)-N-methyl-1,3-oxazole-4-carboxamide
PubChem CID56703364
Molecular FormulaC18H20N2O7
Molecular Weight376.37 g/mol
Exact Mass376.13
IUPAC Name2-(1,3-benzodioxol-5-yloxymethyl)-N-(1,4-dioxan-2-ylmethyl)-N-methyl-1,3-oxazole-4-carboxamide
SMILESCN(CC1COCCO1)C(=O)c1coc(COc2ccc3c(c2)OCO3)n1
InChIInChI=1S/C18H20N2O7/c1-20(7-13-8-22-4-5-23-13)18(21)14-9-25-17(19-14)10-24-12-2-3-15-16(6-12)27-11-26-15/h2-3,6,9,13H,4-5,7-8,10-11H2,1H3
InChIKeyVVSFOQJDNZDVBP-UHFFFAOYSA-N
XLogP1.47
TPSA92.49 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yloxymethyl)-N-(1,4-dioxan-2-ylmethyl)-N-methyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yloxymethyl)-N-(1,4-dioxan-2-ylmethyl)-N-methyl-1,3-oxazole-4-carboxamide (CID 56703364) is 2-(1,3-benzodioxol-5-yloxymethyl)-N-(1,4-dioxan-2-ylmethyl)-N-methyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yloxymethyl)-N-(1,4-dioxan-2-ylmethyl)-N-methyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yloxymethyl)-N-(1,4-dioxan-2-ylmethyl)-N-methyl-1,3-oxazole-4-carboxamide is CN(CC1COCCO1)C(=O)c1coc(COc2ccc3c(c2)OCO3)n1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yloxymethyl)-N-(1,4-dioxan-2-ylmethyl)-N-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is VVSFOQJDNZDVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O7/c1-20(7-13-8-22-4-5-23-13)18(21)14-9-25-17(19-14)10-24-12-2-3-15-16(6-12)27-11-26-15/h2-3,6,9,13H,4-5,7-8,10-11H2,1H3.
What are the key properties of 2-(1,3-benzodioxol-5-yloxymethyl)-N-(1,4-dioxan-2-ylmethyl)-N-methyl-1,3-oxazole-4-carboxamide?
2-(1,3-benzodioxol-5-yloxymethyl)-N-(1,4-dioxan-2-ylmethyl)-N-methyl-1,3-oxazole-4-carboxamide has a molecular weight of 376.37 g/mol, XLogP of 1.47, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yloxymethyl)-N-(1,4-dioxan-2-ylmethyl)-N-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 56703364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).