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

C21H25N3O3 — CID 46000957

IUPAC2-[[benzyl(furan-2-ylmethyl)amino]methyl]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide
SMILESCC(C)CNC(=O)c1coc(CN(Cc2ccccc2)Cc2ccco2)n1
InChIInChI=1S/C21H25N3O3/c1-16(2)11-22-21(25)19-15-27-20(23-19)14-24(13-18-9-6-10-26-18)12-17-7-4-3-5-8-17/h3-10,15-16H,11-14H2,1-2H3,(H,22,25)
InChIKeyMNSSLIBDFDSVAN-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.86
Rot. Bonds9

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

2-[[benzyl(furan-2-ylmethyl)amino]methyl]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide (PubChem CID 46000957) 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-(2-methylpropyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[[benzyl(furan-2-ylmethyl)amino]methyl]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide
PubChem CID46000957
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name2-[[benzyl(furan-2-ylmethyl)amino]methyl]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide
SMILESCC(C)CNC(=O)c1coc(CN(Cc2ccccc2)Cc2ccco2)n1
InChIInChI=1S/C21H25N3O3/c1-16(2)11-22-21(25)19-15-27-20(23-19)14-24(13-18-9-6-10-26-18)12-17-7-4-3-5-8-17/h3-10,15-16H,11-14H2,1-2H3,(H,22,25)
InChIKeyMNSSLIBDFDSVAN-UHFFFAOYSA-N
XLogP3.86
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 ≤ 53.86
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-(2-methylpropyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[[benzyl(furan-2-ylmethyl)amino]methyl]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide (CID 46000957) is 2-[[benzyl(furan-2-ylmethyl)amino]methyl]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[[benzyl(furan-2-ylmethyl)amino]methyl]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[[benzyl(furan-2-ylmethyl)amino]methyl]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide is CC(C)CNC(=O)c1coc(CN(Cc2ccccc2)Cc2ccco2)n1.
What is the InChIKey of 2-[[benzyl(furan-2-ylmethyl)amino]methyl]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide?
The InChIKey is MNSSLIBDFDSVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-16(2)11-22-21(25)19-15-27-20(23-19)14-24(13-18-9-6-10-26-18)12-17-7-4-3-5-8-17/h3-10,15-16H,11-14H2,1-2H3,(H,22,25).
What are the key properties of 2-[[benzyl(furan-2-ylmethyl)amino]methyl]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide?
2-[[benzyl(furan-2-ylmethyl)amino]methyl]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 3.86, 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-(2-methylpropyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 46000957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).