4-[[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl-(furan-2-ylmethyl)amino]methyl]-N-methylbenzamide

C24H24N4O3 — CID 86936719

IUPAC4-[[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl-(furan-2-ylmethyl)amino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN(Cc2noc(Cc3ccccc3)n2)Cc2ccco2)cc1
InChIInChI=1S/C24H24N4O3/c1-25-24(29)20-11-9-19(10-12-20)15-28(16-21-8-5-13-30-21)17-22-26-23(31-27-22)14-18-6-3-2-4-7-18/h2-13H,14-17H2,1H3,(H,25,29)
InChIKeyAKCFNXKLHAUGLS-UHFFFAOYSA-N
MW416.48 g/mol
LogP3.82
Rot. Bonds9

About 4-[[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl-(furan-2-ylmethyl)amino]methyl]-N-methylbenzamide

4-[[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl-(furan-2-ylmethyl)amino]methyl]-N-methylbenzamide (PubChem CID 86936719) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is 4-[[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl-(furan-2-ylmethyl)amino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl-(furan-2-ylmethyl)amino]methyl]-N-methylbenzamide
PubChem CID86936719
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC Name4-[[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl-(furan-2-ylmethyl)amino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN(Cc2noc(Cc3ccccc3)n2)Cc2ccco2)cc1
InChIInChI=1S/C24H24N4O3/c1-25-24(29)20-11-9-19(10-12-20)15-28(16-21-8-5-13-30-21)17-22-26-23(31-27-22)14-18-6-3-2-4-7-18/h2-13H,14-17H2,1H3,(H,25,29)
InChIKeyAKCFNXKLHAUGLS-UHFFFAOYSA-N
XLogP3.82
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl-(furan-2-ylmethyl)amino]methyl]-N-methylbenzamide with MolForge

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Related Compounds

4-[[[2-(dibenzylamino)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-methylbenzamide
CID 30798139
4-[[furan-2-ylmethyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]-N-methylbenzamide
CID 34214609
N-cyclopropyl-4-[[furan-2-ylmethyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]benzamide
CID 34944156
4-[[furan-2-ylmethyl-[(4-imidazol-1-ylphenyl)methyl]amino]methyl]-N-methylbenzamide
CID 86879111
4-[[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl-(furan-2-ylmethyl)amino]methyl]-N-methylbenzamide
CID 46594499
4-[[furan-2-ylmethyl-[2-oxo-2-[1-(4-phenylphenyl)ethylamino]ethyl]amino]methyl]-N-methylbenzamide
CID 42947752
4-[[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-methylbenzamide
CID 34941214
N,N-bis(furan-2-ylmethyl)-1-phenylmethanamine
CID 10825735
2-[[benzyl(furan-2-ylmethyl)amino]methyl]-N-ethyl-1,3-oxazole-4-carboxamide
CID 24712766
4-[[furan-2-ylmethyl-[3-(furan-2-yl)propanoyl]amino]methyl]-N-methylbenzamide
CID 37433435
N-(furan-2-ylmethyl)-2-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
CID 34907709
4-[[furan-2-ylmethyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]amino]methyl]-N-methylbenzamide
CID 30869878

Frequently Asked Questions

What is the IUPAC name of 4-[[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl-(furan-2-ylmethyl)amino]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl-(furan-2-ylmethyl)amino]methyl]-N-methylbenzamide (CID 86936719) is 4-[[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl-(furan-2-ylmethyl)amino]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl-(furan-2-ylmethyl)amino]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl-(furan-2-ylmethyl)amino]methyl]-N-methylbenzamide is CNC(=O)c1ccc(CN(Cc2noc(Cc3ccccc3)n2)Cc2ccco2)cc1.
What is the InChIKey of 4-[[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl-(furan-2-ylmethyl)amino]methyl]-N-methylbenzamide?
The InChIKey is AKCFNXKLHAUGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-25-24(29)20-11-9-19(10-12-20)15-28(16-21-8-5-13-30-21)17-22-26-23(31-27-22)14-18-6-3-2-4-7-18/h2-13H,14-17H2,1H3,(H,25,29).
What are the key properties of 4-[[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl-(furan-2-ylmethyl)amino]methyl]-N-methylbenzamide?
4-[[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl-(furan-2-ylmethyl)amino]methyl]-N-methylbenzamide has a molecular weight of 416.48 g/mol, XLogP of 3.82, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl-(furan-2-ylmethyl)amino]methyl]-N-methylbenzamide is sourced from PubChem (CID 86936719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).