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

C16H21N3O3 — CID 56721983

IUPAC5-[[benzyl(methyl)amino]methyl]-N-(2-hydroxypropyl)-1,2-oxazole-3-carboxamide
SMILESCC(O)CNC(=O)c1cc(CN(C)Cc2ccccc2)on1
InChIInChI=1S/C16H21N3O3/c1-12(20)9-17-16(21)15-8-14(22-18-15)11-19(2)10-13-6-4-3-5-7-13/h3-8,12,20H,9-11H2,1-2H3,(H,17,21)
InChIKeyPLSVCVQAAAWCNY-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.42
Rot. Bonds7

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

5-[[benzyl(methyl)amino]methyl]-N-(2-hydroxypropyl)-1,2-oxazole-3-carboxamide (PubChem CID 56721983) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 5-[[benzyl(methyl)amino]methyl]-N-(2-hydroxypropyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[[benzyl(methyl)amino]methyl]-N-(2-hydroxypropyl)-1,2-oxazole-3-carboxamide
PubChem CID56721983
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name5-[[benzyl(methyl)amino]methyl]-N-(2-hydroxypropyl)-1,2-oxazole-3-carboxamide
SMILESCC(O)CNC(=O)c1cc(CN(C)Cc2ccccc2)on1
InChIInChI=1S/C16H21N3O3/c1-12(20)9-17-16(21)15-8-14(22-18-15)11-19(2)10-13-6-4-3-5-7-13/h3-8,12,20H,9-11H2,1-2H3,(H,17,21)
InChIKeyPLSVCVQAAAWCNY-UHFFFAOYSA-N
XLogP1.42
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[benzyl(methyl)amino]methyl]-N-[(2S)-2-morpholin-4-ylpropyl]-1,2-oxazole-3-carboxamide
CID 95223807
5-[[benzyl(methyl)amino]methyl]-N-[(5-methylfuran-2-yl)methyl]-1,2-oxazole-3-carboxamide
CID 25493204
5-[[benzyl(methyl)amino]methyl]-N-methyl-N-[(2R)-3-methylbutan-2-yl]-1,2-oxazole-3-carboxamide
CID 95227296
5-[[benzyl(methyl)amino]methyl]-N-butan-2-yl-N-ethyl-1,2-oxazole-3-carboxamide
CID 56745106
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
N-(2-hydroxypropyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 43418328
5-[[benzoyl(pyridin-4-ylmethyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 23798416
N-[(2R)-2-hydroxypropyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 83030687
5-[[benzyl(methyl)amino]methyl]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,2-oxazole-3-carboxamide
CID 56713380
N-[3-[3-[benzyl(methyl)amino]propyl-methylamino]propyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 8991000
N-(2-methylpropyl)-5-[[2-phenylethyl(pyridine-3-carbonyl)amino]methyl]-1,2-oxazole-3-carboxamide
CID 23770266

Frequently Asked Questions

What is the IUPAC name of 5-[[benzyl(methyl)amino]methyl]-N-(2-hydroxypropyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[[benzyl(methyl)amino]methyl]-N-(2-hydroxypropyl)-1,2-oxazole-3-carboxamide (CID 56721983) is 5-[[benzyl(methyl)amino]methyl]-N-(2-hydroxypropyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[[benzyl(methyl)amino]methyl]-N-(2-hydroxypropyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[[benzyl(methyl)amino]methyl]-N-(2-hydroxypropyl)-1,2-oxazole-3-carboxamide is CC(O)CNC(=O)c1cc(CN(C)Cc2ccccc2)on1.
What is the InChIKey of 5-[[benzyl(methyl)amino]methyl]-N-(2-hydroxypropyl)-1,2-oxazole-3-carboxamide?
The InChIKey is PLSVCVQAAAWCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-12(20)9-17-16(21)15-8-14(22-18-15)11-19(2)10-13-6-4-3-5-7-13/h3-8,12,20H,9-11H2,1-2H3,(H,17,21).
What are the key properties of 5-[[benzyl(methyl)amino]methyl]-N-(2-hydroxypropyl)-1,2-oxazole-3-carboxamide?
5-[[benzyl(methyl)amino]methyl]-N-(2-hydroxypropyl)-1,2-oxazole-3-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 1.42, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[benzyl(methyl)amino]methyl]-N-(2-hydroxypropyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 56721983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).