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

C19H21N3O3 — CID 34214609

IUPAC4-[[furan-2-ylmethyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN(Cc2cc(C)on2)Cc2ccco2)cc1
InChIInChI=1S/C19H21N3O3/c1-14-10-17(21-25-14)12-22(13-18-4-3-9-24-18)11-15-5-7-16(8-6-15)19(23)20-2/h3-10H,11-13H2,1-2H3,(H,20,23)
InChIKeyQBIYINYZWLDWHU-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.14
Rot. Bonds7

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

4-[[furan-2-ylmethyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]-N-methylbenzamide (PubChem CID 34214609) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 4-[[furan-2-ylmethyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[furan-2-ylmethyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]-N-methylbenzamide
PubChem CID34214609
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name4-[[furan-2-ylmethyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN(Cc2cc(C)on2)Cc2ccco2)cc1
InChIInChI=1S/C19H21N3O3/c1-14-10-17(21-25-14)12-22(13-18-4-3-9-24-18)11-15-5-7-16(8-6-15)19(23)20-2/h3-10H,11-13H2,1-2H3,(H,20,23)
InChIKeyQBIYINYZWLDWHU-UHFFFAOYSA-N
XLogP3.14
TPSA71.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-4-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]benzamide
CID 37213866
4-[[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl-(furan-2-ylmethyl)amino]methyl]-N-methylbenzamide
CID 46594499
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
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
4-[[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-methylbenzamide
CID 34941214
3-chloro-N-(furan-2-ylmethyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
CID 34907655
4-[[furan-2-ylmethyl-[2-oxo-2-[1-(4-phenylphenyl)ethylamino]ethyl]amino]methyl]-N-methylbenzamide
CID 42947752
N-cyclopropyl-4-[[furan-2-ylmethyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]benzamide
CID 34944156

Frequently Asked Questions

What is the IUPAC name of 4-[[furan-2-ylmethyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[furan-2-ylmethyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]-N-methylbenzamide (CID 34214609) is 4-[[furan-2-ylmethyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[furan-2-ylmethyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[furan-2-ylmethyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]-N-methylbenzamide is CNC(=O)c1ccc(CN(Cc2cc(C)on2)Cc2ccco2)cc1.
What is the InChIKey of 4-[[furan-2-ylmethyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]-N-methylbenzamide?
The InChIKey is QBIYINYZWLDWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-14-10-17(21-25-14)12-22(13-18-4-3-9-24-18)11-15-5-7-16(8-6-15)19(23)20-2/h3-10H,11-13H2,1-2H3,(H,20,23).
What are the key properties of 4-[[furan-2-ylmethyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]-N-methylbenzamide?
4-[[furan-2-ylmethyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]-N-methylbenzamide has a molecular weight of 339.40 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[furan-2-ylmethyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]-N-methylbenzamide is sourced from PubChem (CID 34214609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).