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

C21H25N3O3 — CID 46000961

IUPAC2-[[benzyl(furan-2-ylmethyl)amino]methyl]-N-butan-2-yl-1,3-oxazole-4-carboxamide
SMILESCCC(C)NC(=O)c1coc(CN(Cc2ccccc2)Cc2ccco2)n1
InChIInChI=1S/C21H25N3O3/c1-3-16(2)22-21(25)19-15-27-20(23-19)14-24(13-18-10-7-11-26-18)12-17-8-5-4-6-9-17/h4-11,15-16H,3,12-14H2,1-2H3,(H,22,25)
InChIKeyIMNWPZXDYWTQJE-UHFFFAOYSA-N
MW367.45 g/mol
LogP4.00
Rot. Bonds9

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

2-[[benzyl(furan-2-ylmethyl)amino]methyl]-N-butan-2-yl-1,3-oxazole-4-carboxamide (PubChem CID 46000961) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-[[benzyl(furan-2-ylmethyl)amino]methyl]-N-butan-2-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[[benzyl(furan-2-ylmethyl)amino]methyl]-N-butan-2-yl-1,3-oxazole-4-carboxamide
PubChem CID46000961
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name2-[[benzyl(furan-2-ylmethyl)amino]methyl]-N-butan-2-yl-1,3-oxazole-4-carboxamide
SMILESCCC(C)NC(=O)c1coc(CN(Cc2ccccc2)Cc2ccco2)n1
InChIInChI=1S/C21H25N3O3/c1-3-16(2)22-21(25)19-15-27-20(23-19)14-24(13-18-10-7-11-26-18)12-17-8-5-4-6-9-17/h4-11,15-16H,3,12-14H2,1-2H3,(H,22,25)
InChIKeyIMNWPZXDYWTQJE-UHFFFAOYSA-N
XLogP4.00
TPSA71.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[benzyl(furan-2-ylmethyl)amino]methyl]-N-butan-2-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[[benzyl(furan-2-ylmethyl)amino]methyl]-N-butan-2-yl-1,3-oxazole-4-carboxamide (CID 46000961) is 2-[[benzyl(furan-2-ylmethyl)amino]methyl]-N-butan-2-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[[benzyl(furan-2-ylmethyl)amino]methyl]-N-butan-2-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[[benzyl(furan-2-ylmethyl)amino]methyl]-N-butan-2-yl-1,3-oxazole-4-carboxamide is CCC(C)NC(=O)c1coc(CN(Cc2ccccc2)Cc2ccco2)n1.
What is the InChIKey of 2-[[benzyl(furan-2-ylmethyl)amino]methyl]-N-butan-2-yl-1,3-oxazole-4-carboxamide?
The InChIKey is IMNWPZXDYWTQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-3-16(2)22-21(25)19-15-27-20(23-19)14-24(13-18-10-7-11-26-18)12-17-8-5-4-6-9-17/h4-11,15-16H,3,12-14H2,1-2H3,(H,22,25).
What are the key properties of 2-[[benzyl(furan-2-ylmethyl)amino]methyl]-N-butan-2-yl-1,3-oxazole-4-carboxamide?
2-[[benzyl(furan-2-ylmethyl)amino]methyl]-N-butan-2-yl-1,3-oxazole-4-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 4.00, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[benzyl(furan-2-ylmethyl)amino]methyl]-N-butan-2-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 46000961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).