5-[[[2-(dimethylamino)-2-oxoethyl]-propylamino]methyl]-1,2-oxazole-3-carboxylic acid

C12H19N3O4 — CID 54990080

IUPAC5-[[[2-(dimethylamino)-2-oxoethyl]-propylamino]methyl]-1,2-oxazole-3-carboxylic acid
SMILESCCCN(CC(=O)N(C)C)Cc1cc(C(=O)O)no1
InChIInChI=1S/C12H19N3O4/c1-4-5-15(8-11(16)14(2)3)7-9-6-10(12(17)18)13-19-9/h6H,4-5,7-8H2,1-3H3,(H,17,18)
InChIKeyFRIGLYAHLWLZNJ-UHFFFAOYSA-N
MW269.30 g/mol
LogP0.67
Rot. Bonds7

About 5-[[[2-(dimethylamino)-2-oxoethyl]-propylamino]methyl]-1,2-oxazole-3-carboxylic acid

5-[[[2-(dimethylamino)-2-oxoethyl]-propylamino]methyl]-1,2-oxazole-3-carboxylic acid (PubChem CID 54990080) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is 5-[[[2-(dimethylamino)-2-oxoethyl]-propylamino]methyl]-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[[[2-(dimethylamino)-2-oxoethyl]-propylamino]methyl]-1,2-oxazole-3-carboxylic acid
PubChem CID54990080
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name5-[[[2-(dimethylamino)-2-oxoethyl]-propylamino]methyl]-1,2-oxazole-3-carboxylic acid
SMILESCCCN(CC(=O)N(C)C)Cc1cc(C(=O)O)no1
InChIInChI=1S/C12H19N3O4/c1-4-5-15(8-11(16)14(2)3)7-9-6-10(12(17)18)13-19-9/h6H,4-5,7-8H2,1-3H3,(H,17,18)
InChIKeyFRIGLYAHLWLZNJ-UHFFFAOYSA-N
XLogP0.67
TPSA86.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[[[2-(dimethylamino)-2-oxoethyl]-propylamino]methyl]-1,2-oxazole-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(dibutylamino)methyl]-1,2-oxazole-3-carboxylic acid
CID 61397880
5-[[ethyl(2-hydroxyethyl)amino]methyl]-1,2-oxazole-3-carboxylic acid
CID 61397882
5-[[hydroxy(methyl)amino]methyl]-1,2-oxazole-3-carboxylic acid
CID 131122642
5-[[(2-amino-2-oxoethyl)-methylamino]methyl]-1,2-oxazole-3-carboxylic acid
CID 61397938
N-butan-2-yl-5-[(dipropylamino)methyl]-1,2-oxazole-3-carboxamide
CID 126813963
5-[[ethyl(2-methylbutyl)amino]methyl]-1,2-oxazole-3-carboxylic acid
CID 79478057
4-[[[2-(dimethylamino)-2-oxoethyl]-propylamino]methyl]-5-methylfuran-2-carboxylic acid
CID 62274669
5-[[ethyl(furan-2-ylmethyl)amino]methyl]-1,2-oxazole-3-carboxylic acid
CID 61423513
2-[(3-phenyl-1,2-oxazol-5-yl)methyl-propylamino]acetic acid
CID 61006913
5-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-1,2-oxazole-3-carboxylic acid
CID 54986847
2-[[5-(hydrazinecarbonyl)-4-methylfuran-2-yl]methyl-propylamino]-N,N-dimethylacetamide
CID 63577547
5-[(4-hydroxy-N-methylanilino)methyl]-1,2-oxazole-3-carboxylic acid
CID 55053071

Frequently Asked Questions

What is the IUPAC name of 5-[[[2-(dimethylamino)-2-oxoethyl]-propylamino]methyl]-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[[[2-(dimethylamino)-2-oxoethyl]-propylamino]methyl]-1,2-oxazole-3-carboxylic acid (CID 54990080) is 5-[[[2-(dimethylamino)-2-oxoethyl]-propylamino]methyl]-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[[[2-(dimethylamino)-2-oxoethyl]-propylamino]methyl]-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[[[2-(dimethylamino)-2-oxoethyl]-propylamino]methyl]-1,2-oxazole-3-carboxylic acid is CCCN(CC(=O)N(C)C)Cc1cc(C(=O)O)no1.
What is the InChIKey of 5-[[[2-(dimethylamino)-2-oxoethyl]-propylamino]methyl]-1,2-oxazole-3-carboxylic acid?
The InChIKey is FRIGLYAHLWLZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-4-5-15(8-11(16)14(2)3)7-9-6-10(12(17)18)13-19-9/h6H,4-5,7-8H2,1-3H3,(H,17,18).
What are the key properties of 5-[[[2-(dimethylamino)-2-oxoethyl]-propylamino]methyl]-1,2-oxazole-3-carboxylic acid?
5-[[[2-(dimethylamino)-2-oxoethyl]-propylamino]methyl]-1,2-oxazole-3-carboxylic acid has a molecular weight of 269.30 g/mol, XLogP of 0.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[2-(dimethylamino)-2-oxoethyl]-propylamino]methyl]-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 54990080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).