5-[[benzyl(methyl)amino]methyl]-N-[(5-methylfuran-2-yl)methyl]-1,2-oxazole-3-carboxamide

C19H21N3O3 — CID 25493204

IUPAC5-[[benzyl(methyl)amino]methyl]-N-[(5-methylfuran-2-yl)methyl]-1,2-oxazole-3-carboxamide
SMILESCc1ccc(CNC(=O)c2cc(CN(C)Cc3ccccc3)on2)o1
InChIInChI=1S/C19H21N3O3/c1-14-8-9-16(24-14)11-20-19(23)18-10-17(25-21-18)13-22(2)12-15-6-4-3-5-7-15/h3-10H,11-13H2,1-2H3,(H,20,23)
InChIKeyMGYCVNPRWDVDNT-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.14
Rot. Bonds7

About 5-[[benzyl(methyl)amino]methyl]-N-[(5-methylfuran-2-yl)methyl]-1,2-oxazole-3-carboxamide

5-[[benzyl(methyl)amino]methyl]-N-[(5-methylfuran-2-yl)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 25493204) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 5-[[benzyl(methyl)amino]methyl]-N-[(5-methylfuran-2-yl)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[[benzyl(methyl)amino]methyl]-N-[(5-methylfuran-2-yl)methyl]-1,2-oxazole-3-carboxamide
PubChem CID25493204
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name5-[[benzyl(methyl)amino]methyl]-N-[(5-methylfuran-2-yl)methyl]-1,2-oxazole-3-carboxamide
SMILESCc1ccc(CNC(=O)c2cc(CN(C)Cc3ccccc3)on2)o1
InChIInChI=1S/C19H21N3O3/c1-14-8-9-16(24-14)11-20-19(23)18-10-17(25-21-18)13-22(2)12-15-6-4-3-5-7-15/h3-10H,11-13H2,1-2H3,(H,20,23)
InChIKeyMGYCVNPRWDVDNT-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

5-[[benzyl(methyl)amino]methyl]-N-(2-hydroxypropyl)-1,2-oxazole-3-carboxamide
CID 56721983
5-[[benzyl(methyl)amino]methyl]-N-(2-methylbutan-2-yl)-1,2-oxazole-3-carboxamide
CID 56759676
5-[[benzyl(methyl)amino]methyl]-N-(oxan-4-yl)-1,2-oxazole-3-carboxamide
CID 42122193
5-[[benzyl(methyl)amino]methyl]-N-butan-2-yl-N-ethyl-1,2-oxazole-3-carboxamide
CID 56745106
5-[[benzyl(methyl)amino]methyl]-N-[(2S)-2-morpholin-4-ylpropyl]-1,2-oxazole-3-carboxamide
CID 95223807
5-[[benzyl(methyl)amino]methyl]-N-methyl-N-[(2R)-3-methylbutan-2-yl]-1,2-oxazole-3-carboxamide
CID 95227296
N-[3-[3-[benzyl(methyl)amino]propyl-methylamino]propyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 8991000
1,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-3-carboxamide
CID 39854570
3-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]benzoic acid
CID 43526411
5-(1,3-benzodioxol-5-yl)-N-[(5-methylfuran-2-yl)methyl]-1,2-oxazole-3-carboxamide
CID 46087404
5-[[benzyl(methyl)amino]methyl]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,2-oxazole-3-carboxamide
CID 56713380
5-[[benzyl(methyl)amino]methyl]-N-[[(3R)-1,3-dimethylpyrrolidin-3-yl]methyl]-N-methyl-1,2-oxazole-3-carboxamide
CID 95226276

Frequently Asked Questions

What is the IUPAC name of 5-[[benzyl(methyl)amino]methyl]-N-[(5-methylfuran-2-yl)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[[benzyl(methyl)amino]methyl]-N-[(5-methylfuran-2-yl)methyl]-1,2-oxazole-3-carboxamide (CID 25493204) is 5-[[benzyl(methyl)amino]methyl]-N-[(5-methylfuran-2-yl)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[[benzyl(methyl)amino]methyl]-N-[(5-methylfuran-2-yl)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[[benzyl(methyl)amino]methyl]-N-[(5-methylfuran-2-yl)methyl]-1,2-oxazole-3-carboxamide is Cc1ccc(CNC(=O)c2cc(CN(C)Cc3ccccc3)on2)o1.
What is the InChIKey of 5-[[benzyl(methyl)amino]methyl]-N-[(5-methylfuran-2-yl)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is MGYCVNPRWDVDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-14-8-9-16(24-14)11-20-19(23)18-10-17(25-21-18)13-22(2)12-15-6-4-3-5-7-15/h3-10H,11-13H2,1-2H3,(H,20,23).
What are the key properties of 5-[[benzyl(methyl)amino]methyl]-N-[(5-methylfuran-2-yl)methyl]-1,2-oxazole-3-carboxamide?
5-[[benzyl(methyl)amino]methyl]-N-[(5-methylfuran-2-yl)methyl]-1,2-oxazole-3-carboxamide 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 5-[[benzyl(methyl)amino]methyl]-N-[(5-methylfuran-2-yl)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 25493204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).