4-[[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl-(furan-2-ylmethyl)amino]methyl]-N-methylbenzamide

C26H27N3O3 — CID 46594499

IUPAC4-[[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl-(furan-2-ylmethyl)amino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN(Cc2coc(-c3ccc(C)cc3C)n2)Cc2ccco2)cc1
InChIInChI=1S/C26H27N3O3/c1-18-6-11-24(19(2)13-18)26-28-22(17-32-26)15-29(16-23-5-4-12-31-23)14-20-7-9-21(10-8-20)25(30)27-3/h4-13,17H,14-16H2,1-3H3,(H,27,30)
InChIKeyYVTOFJLGVDZDIA-UHFFFAOYSA-N
MW429.52 g/mol
LogP5.11
Rot. Bonds8

About 4-[[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl-(furan-2-ylmethyl)amino]methyl]-N-methylbenzamide

4-[[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl-(furan-2-ylmethyl)amino]methyl]-N-methylbenzamide (PubChem CID 46594499) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is 4-[[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl-(furan-2-ylmethyl)amino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl-(furan-2-ylmethyl)amino]methyl]-N-methylbenzamide
PubChem CID46594499
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC Name4-[[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl-(furan-2-ylmethyl)amino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN(Cc2coc(-c3ccc(C)cc3C)n2)Cc2ccco2)cc1
InChIInChI=1S/C26H27N3O3/c1-18-6-11-24(19(2)13-18)26-28-22(17-32-26)15-29(16-23-5-4-12-31-23)14-20-7-9-21(10-8-20)25(30)27-3/h4-13,17H,14-16H2,1-3H3,(H,27,30)
InChIKeyYVTOFJLGVDZDIA-UHFFFAOYSA-N
XLogP5.11
TPSA71.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.52
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

4-[[furan-2-ylmethyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]-N-methylbenzamide
CID 34214609
4-[[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl-(furan-2-ylmethyl)amino]methyl]-N-methylbenzamide
CID 86936719
4-[[furan-2-ylmethyl-[(4-imidazol-1-ylphenyl)methyl]amino]methyl]-N-methylbenzamide
CID 86879111
4-[[[2-(dibenzylamino)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-methylbenzamide
CID 30798139
N-(furan-2-ylmethyl)-2-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
CID 34907709
4-[[furan-2-ylmethyl-[3-(furan-2-yl)propanoyl]amino]methyl]-N-methylbenzamide
CID 37433435
4-[[furan-2-ylmethyl-[2-oxo-2-[1-(4-phenylphenyl)ethylamino]ethyl]amino]methyl]-N-methylbenzamide
CID 42947752
ethyl (E)-3-[4-[[2-[furan-2-ylmethyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]acetyl]amino]phenyl]prop-2-enoate
CID 30798209
N-cyclopropyl-4-[[furan-2-ylmethyl-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]amino]methyl]benzamide
CID 55591167
3-chloro-N-(furan-2-ylmethyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
CID 34907655
4-[[furan-2-ylmethyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]amino]methyl]-N-methylbenzamide
CID 30869878
1-(furan-2-yl)-N-methyl-N-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]methanamine
CID 56665525

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl-(furan-2-ylmethyl)amino]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl-(furan-2-ylmethyl)amino]methyl]-N-methylbenzamide (CID 46594499) is 4-[[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl-(furan-2-ylmethyl)amino]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl-(furan-2-ylmethyl)amino]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl-(furan-2-ylmethyl)amino]methyl]-N-methylbenzamide is CNC(=O)c1ccc(CN(Cc2coc(-c3ccc(C)cc3C)n2)Cc2ccco2)cc1.
What is the InChIKey of 4-[[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl-(furan-2-ylmethyl)amino]methyl]-N-methylbenzamide?
The InChIKey is YVTOFJLGVDZDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3/c1-18-6-11-24(19(2)13-18)26-28-22(17-32-26)15-29(16-23-5-4-12-31-23)14-20-7-9-21(10-8-20)25(30)27-3/h4-13,17H,14-16H2,1-3H3,(H,27,30).
What are the key properties of 4-[[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl-(furan-2-ylmethyl)amino]methyl]-N-methylbenzamide?
4-[[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl-(furan-2-ylmethyl)amino]methyl]-N-methylbenzamide has a molecular weight of 429.52 g/mol, XLogP of 5.11, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl-(furan-2-ylmethyl)amino]methyl]-N-methylbenzamide is sourced from PubChem (CID 46594499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).