2-(1,3-benzodioxol-5-yloxymethyl)-N-(2-ethoxyethyl)-1,3-oxazole-4-carboxamide

C16H18N2O6 — CID 72919152

IUPAC2-(1,3-benzodioxol-5-yloxymethyl)-N-(2-ethoxyethyl)-1,3-oxazole-4-carboxamide
SMILESCCOCCNC(=O)c1coc(COc2ccc3c(c2)OCO3)n1
InChIInChI=1S/C16H18N2O6/c1-2-20-6-5-17-16(19)12-8-22-15(18-12)9-21-11-3-4-13-14(7-11)24-10-23-13/h3-4,7-8H,2,5-6,9-10H2,1H3,(H,17,19)
InChIKeyNLQUICGJNDFGMV-UHFFFAOYSA-N
MW334.33 g/mol
LogP1.75
Rot. Bonds8

About 2-(1,3-benzodioxol-5-yloxymethyl)-N-(2-ethoxyethyl)-1,3-oxazole-4-carboxamide

2-(1,3-benzodioxol-5-yloxymethyl)-N-(2-ethoxyethyl)-1,3-oxazole-4-carboxamide (PubChem CID 72919152) has the molecular formula C16H18N2O6 and a molecular weight of 334.33 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yloxymethyl)-N-(2-ethoxyethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yloxymethyl)-N-(2-ethoxyethyl)-1,3-oxazole-4-carboxamide
PubChem CID72919152
Molecular FormulaC16H18N2O6
Molecular Weight334.33 g/mol
Exact Mass334.12
IUPAC Name2-(1,3-benzodioxol-5-yloxymethyl)-N-(2-ethoxyethyl)-1,3-oxazole-4-carboxamide
SMILESCCOCCNC(=O)c1coc(COc2ccc3c(c2)OCO3)n1
InChIInChI=1S/C16H18N2O6/c1-2-20-6-5-17-16(19)12-8-22-15(18-12)9-21-11-3-4-13-14(7-11)24-10-23-13/h3-4,7-8H,2,5-6,9-10H2,1H3,(H,17,19)
InChIKeyNLQUICGJNDFGMV-UHFFFAOYSA-N
XLogP1.75
TPSA92.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(1,3-benzodioxol-5-yloxymethyl)-N-(2-ethoxyethyl)-1,3-oxazole-4-carboxamide 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 2-(1,3-benzodioxol-5-yloxymethyl)-N-(2-ethoxyethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yloxymethyl)-N-(2-ethoxyethyl)-1,3-oxazole-4-carboxamide (CID 72919152) is 2-(1,3-benzodioxol-5-yloxymethyl)-N-(2-ethoxyethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yloxymethyl)-N-(2-ethoxyethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yloxymethyl)-N-(2-ethoxyethyl)-1,3-oxazole-4-carboxamide is CCOCCNC(=O)c1coc(COc2ccc3c(c2)OCO3)n1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yloxymethyl)-N-(2-ethoxyethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is NLQUICGJNDFGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O6/c1-2-20-6-5-17-16(19)12-8-22-15(18-12)9-21-11-3-4-13-14(7-11)24-10-23-13/h3-4,7-8H,2,5-6,9-10H2,1H3,(H,17,19).
What are the key properties of 2-(1,3-benzodioxol-5-yloxymethyl)-N-(2-ethoxyethyl)-1,3-oxazole-4-carboxamide?
2-(1,3-benzodioxol-5-yloxymethyl)-N-(2-ethoxyethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 334.33 g/mol, XLogP of 1.75, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yloxymethyl)-N-(2-ethoxyethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 72919152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).