5-[[ethyl(2-methylbutyl)amino]methyl]-1,2-oxazole-3-carboxylic acid

C12H20N2O3 — CID 79478057

IUPAC5-[[ethyl(2-methylbutyl)amino]methyl]-1,2-oxazole-3-carboxylic acid
SMILESCCC(C)CN(CC)Cc1cc(C(=O)O)no1
InChIInChI=1S/C12H20N2O3/c1-4-9(3)7-14(5-2)8-10-6-11(12(15)16)13-17-10/h6,9H,4-5,7-8H2,1-3H3,(H,15,16)
InChIKeyZIJNCGDOAMDIAU-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.24
Rot. Bonds7

About 5-[[ethyl(2-methylbutyl)amino]methyl]-1,2-oxazole-3-carboxylic acid

5-[[ethyl(2-methylbutyl)amino]methyl]-1,2-oxazole-3-carboxylic acid (PubChem CID 79478057) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 5-[[ethyl(2-methylbutyl)amino]methyl]-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[[ethyl(2-methylbutyl)amino]methyl]-1,2-oxazole-3-carboxylic acid
PubChem CID79478057
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name5-[[ethyl(2-methylbutyl)amino]methyl]-1,2-oxazole-3-carboxylic acid
SMILESCCC(C)CN(CC)Cc1cc(C(=O)O)no1
InChIInChI=1S/C12H20N2O3/c1-4-9(3)7-14(5-2)8-10-6-11(12(15)16)13-17-10/h6,9H,4-5,7-8H2,1-3H3,(H,15,16)
InChIKeyZIJNCGDOAMDIAU-UHFFFAOYSA-N
XLogP2.24
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[ethyl(2-methylbutyl)amino]methyl]-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[[ethyl(2-methylbutyl)amino]methyl]-1,2-oxazole-3-carboxylic acid (CID 79478057) is 5-[[ethyl(2-methylbutyl)amino]methyl]-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[[ethyl(2-methylbutyl)amino]methyl]-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[[ethyl(2-methylbutyl)amino]methyl]-1,2-oxazole-3-carboxylic acid is CCC(C)CN(CC)Cc1cc(C(=O)O)no1.
What is the InChIKey of 5-[[ethyl(2-methylbutyl)amino]methyl]-1,2-oxazole-3-carboxylic acid?
The InChIKey is ZIJNCGDOAMDIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-4-9(3)7-14(5-2)8-10-6-11(12(15)16)13-17-10/h6,9H,4-5,7-8H2,1-3H3,(H,15,16).
What are the key properties of 5-[[ethyl(2-methylbutyl)amino]methyl]-1,2-oxazole-3-carboxylic acid?
5-[[ethyl(2-methylbutyl)amino]methyl]-1,2-oxazole-3-carboxylic acid has a molecular weight of 240.30 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[ethyl(2-methylbutyl)amino]methyl]-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 79478057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).