2-(1,3-benzodioxol-5-yloxymethyl)-N-ethyl-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide

C20H19N3O5 — CID 72843100

IUPAC2-(1,3-benzodioxol-5-yloxymethyl)-N-ethyl-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide
SMILESCCN(Cc1ccccn1)C(=O)c1coc(COc2ccc3c(c2)OCO3)n1
InChIInChI=1S/C20H19N3O5/c1-2-23(10-14-5-3-4-8-21-14)20(24)16-11-26-19(22-16)12-25-15-6-7-17-18(9-15)28-13-27-17/h3-9,11H,2,10,12-13H2,1H3
InChIKeyJGAAVWHFNCKNOE-UHFFFAOYSA-N
MW381.39 g/mol
LogP3.04
Rot. Bonds7

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

2-(1,3-benzodioxol-5-yloxymethyl)-N-ethyl-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide (PubChem CID 72843100) has the molecular formula C20H19N3O5 and a molecular weight of 381.39 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yloxymethyl)-N-ethyl-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yloxymethyl)-N-ethyl-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide
PubChem CID72843100
Molecular FormulaC20H19N3O5
Molecular Weight381.39 g/mol
Exact Mass381.13
IUPAC Name2-(1,3-benzodioxol-5-yloxymethyl)-N-ethyl-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide
SMILESCCN(Cc1ccccn1)C(=O)c1coc(COc2ccc3c(c2)OCO3)n1
InChIInChI=1S/C20H19N3O5/c1-2-23(10-14-5-3-4-8-21-14)20(24)16-11-26-19(22-16)12-25-15-6-7-17-18(9-15)28-13-27-17/h3-9,11H,2,10,12-13H2,1H3
InChIKeyJGAAVWHFNCKNOE-UHFFFAOYSA-N
XLogP3.04
TPSA86.92 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 53.04
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)-N-ethyl-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yloxymethyl)-N-ethyl-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide (CID 72843100) is 2-(1,3-benzodioxol-5-yloxymethyl)-N-ethyl-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yloxymethyl)-N-ethyl-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yloxymethyl)-N-ethyl-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide is CCN(Cc1ccccn1)C(=O)c1coc(COc2ccc3c(c2)OCO3)n1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yloxymethyl)-N-ethyl-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is JGAAVWHFNCKNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O5/c1-2-23(10-14-5-3-4-8-21-14)20(24)16-11-26-19(22-16)12-25-15-6-7-17-18(9-15)28-13-27-17/h3-9,11H,2,10,12-13H2,1H3.
What are the key properties of 2-(1,3-benzodioxol-5-yloxymethyl)-N-ethyl-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide?
2-(1,3-benzodioxol-5-yloxymethyl)-N-ethyl-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 381.39 g/mol, XLogP of 3.04, 7 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)-N-ethyl-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 72843100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).