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

C21H26N4O3 — CID 42833559

IUPAC2-[[benzyl(furan-2-ylmethyl)amino]methyl]-N-[2-(dimethylamino)ethyl]-1,3-oxazole-4-carboxamide
SMILESCN(C)CCNC(=O)c1coc(CN(Cc2ccccc2)Cc2ccco2)n1
InChIInChI=1S/C21H26N4O3/c1-24(2)11-10-22-21(26)19-16-28-20(23-19)15-25(14-18-9-6-12-27-18)13-17-7-4-3-5-8-17/h3-9,12,16H,10-11,13-15H2,1-2H3,(H,22,26)
InChIKeySGKGKUYUHDFFAS-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.76
Rot. Bonds10

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

2-[[benzyl(furan-2-ylmethyl)amino]methyl]-N-[2-(dimethylamino)ethyl]-1,3-oxazole-4-carboxamide (PubChem CID 42833559) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 2-[[benzyl(furan-2-ylmethyl)amino]methyl]-N-[2-(dimethylamino)ethyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[[benzyl(furan-2-ylmethyl)amino]methyl]-N-[2-(dimethylamino)ethyl]-1,3-oxazole-4-carboxamide
PubChem CID42833559
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name2-[[benzyl(furan-2-ylmethyl)amino]methyl]-N-[2-(dimethylamino)ethyl]-1,3-oxazole-4-carboxamide
SMILESCN(C)CCNC(=O)c1coc(CN(Cc2ccccc2)Cc2ccco2)n1
InChIInChI=1S/C21H26N4O3/c1-24(2)11-10-22-21(26)19-16-28-20(23-19)15-25(14-18-9-6-12-27-18)13-17-7-4-3-5-8-17/h3-9,12,16H,10-11,13-15H2,1-2H3,(H,22,26)
InChIKeySGKGKUYUHDFFAS-UHFFFAOYSA-N
XLogP2.76
TPSA74.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[benzyl(furan-2-ylmethyl)amino]methyl]-N-[2-(dimethylamino)ethyl]-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-[[benzyl(furan-2-ylmethyl)amino]methyl]-N-[2-(dimethylamino)ethyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[[benzyl(furan-2-ylmethyl)amino]methyl]-N-[2-(dimethylamino)ethyl]-1,3-oxazole-4-carboxamide (CID 42833559) is 2-[[benzyl(furan-2-ylmethyl)amino]methyl]-N-[2-(dimethylamino)ethyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[[benzyl(furan-2-ylmethyl)amino]methyl]-N-[2-(dimethylamino)ethyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[[benzyl(furan-2-ylmethyl)amino]methyl]-N-[2-(dimethylamino)ethyl]-1,3-oxazole-4-carboxamide is CN(C)CCNC(=O)c1coc(CN(Cc2ccccc2)Cc2ccco2)n1.
What is the InChIKey of 2-[[benzyl(furan-2-ylmethyl)amino]methyl]-N-[2-(dimethylamino)ethyl]-1,3-oxazole-4-carboxamide?
The InChIKey is SGKGKUYUHDFFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-24(2)11-10-22-21(26)19-16-28-20(23-19)15-25(14-18-9-6-12-27-18)13-17-7-4-3-5-8-17/h3-9,12,16H,10-11,13-15H2,1-2H3,(H,22,26).
What are the key properties of 2-[[benzyl(furan-2-ylmethyl)amino]methyl]-N-[2-(dimethylamino)ethyl]-1,3-oxazole-4-carboxamide?
2-[[benzyl(furan-2-ylmethyl)amino]methyl]-N-[2-(dimethylamino)ethyl]-1,3-oxazole-4-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 2.76, 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-(dimethylamino)ethyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 42833559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).