2-[[benzyl(furan-2-ylmethyl)amino]methyl]-N-(2-methoxyethyl)-1,3-oxazole-4-carboxamide

C20H23N3O4 — CID 46000958

IUPAC2-[[benzyl(furan-2-ylmethyl)amino]methyl]-N-(2-methoxyethyl)-1,3-oxazole-4-carboxamide
SMILESCOCCNC(=O)c1coc(CN(Cc2ccccc2)Cc2ccco2)n1
InChIInChI=1S/C20H23N3O4/c1-25-11-9-21-20(24)18-15-27-19(22-18)14-23(13-17-8-5-10-26-17)12-16-6-3-2-4-7-16/h2-8,10,15H,9,11-14H2,1H3,(H,21,24)
InChIKeyZFTGWZJMFKKBEZ-UHFFFAOYSA-N
MW369.42 g/mol
LogP2.85
Rot. Bonds10

About 2-[[benzyl(furan-2-ylmethyl)amino]methyl]-N-(2-methoxyethyl)-1,3-oxazole-4-carboxamide

2-[[benzyl(furan-2-ylmethyl)amino]methyl]-N-(2-methoxyethyl)-1,3-oxazole-4-carboxamide (PubChem CID 46000958) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is 2-[[benzyl(furan-2-ylmethyl)amino]methyl]-N-(2-methoxyethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[[benzyl(furan-2-ylmethyl)amino]methyl]-N-(2-methoxyethyl)-1,3-oxazole-4-carboxamide
PubChem CID46000958
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name2-[[benzyl(furan-2-ylmethyl)amino]methyl]-N-(2-methoxyethyl)-1,3-oxazole-4-carboxamide
SMILESCOCCNC(=O)c1coc(CN(Cc2ccccc2)Cc2ccco2)n1
InChIInChI=1S/C20H23N3O4/c1-25-11-9-21-20(24)18-15-27-19(22-18)14-23(13-17-8-5-10-26-17)12-16-6-3-2-4-7-16/h2-8,10,15H,9,11-14H2,1H3,(H,21,24)
InChIKeyZFTGWZJMFKKBEZ-UHFFFAOYSA-N
XLogP2.85
TPSA80.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[benzyl(furan-2-ylmethyl)amino]methyl]-N-(2-methoxyethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[[benzyl(furan-2-ylmethyl)amino]methyl]-N-(2-methoxyethyl)-1,3-oxazole-4-carboxamide (CID 46000958) is 2-[[benzyl(furan-2-ylmethyl)amino]methyl]-N-(2-methoxyethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[[benzyl(furan-2-ylmethyl)amino]methyl]-N-(2-methoxyethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[[benzyl(furan-2-ylmethyl)amino]methyl]-N-(2-methoxyethyl)-1,3-oxazole-4-carboxamide is COCCNC(=O)c1coc(CN(Cc2ccccc2)Cc2ccco2)n1.
What is the InChIKey of 2-[[benzyl(furan-2-ylmethyl)amino]methyl]-N-(2-methoxyethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is ZFTGWZJMFKKBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-25-11-9-21-20(24)18-15-27-19(22-18)14-23(13-17-8-5-10-26-17)12-16-6-3-2-4-7-16/h2-8,10,15H,9,11-14H2,1H3,(H,21,24).
What are the key properties of 2-[[benzyl(furan-2-ylmethyl)amino]methyl]-N-(2-methoxyethyl)-1,3-oxazole-4-carboxamide?
2-[[benzyl(furan-2-ylmethyl)amino]methyl]-N-(2-methoxyethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 369.42 g/mol, XLogP of 2.85, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[benzyl(furan-2-ylmethyl)amino]methyl]-N-(2-methoxyethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 46000958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).