5-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-1,2-oxazole-3-carboxylic acid

C12H20N2O4 — CID 54986847

IUPAC5-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-1,2-oxazole-3-carboxylic acid
SMILESCOCCN(Cc1cc(C(=O)O)no1)CC(C)C
InChIInChI=1S/C12H20N2O4/c1-9(2)7-14(4-5-17-3)8-10-6-11(12(15)16)13-18-10/h6,9H,4-5,7-8H2,1-3H3,(H,15,16)
InChIKeyJBFWWHFXXKWBKD-UHFFFAOYSA-N
MW256.30 g/mol
LogP1.48
Rot. Bonds8

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

5-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-1,2-oxazole-3-carboxylic acid (PubChem CID 54986847) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 5-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-1,2-oxazole-3-carboxylic acid
PubChem CID54986847
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name5-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-1,2-oxazole-3-carboxylic acid
SMILESCOCCN(Cc1cc(C(=O)O)no1)CC(C)C
InChIInChI=1S/C12H20N2O4/c1-9(2)7-14(4-5-17-3)8-10-6-11(12(15)16)13-18-10/h6,9H,4-5,7-8H2,1-3H3,(H,15,16)
InChIKeyJBFWWHFXXKWBKD-UHFFFAOYSA-N
XLogP1.48
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-1,2-oxazole-3-carboxylic acid (CID 54986847) is 5-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-1,2-oxazole-3-carboxylic acid is COCCN(Cc1cc(C(=O)O)no1)CC(C)C.
What is the InChIKey of 5-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-1,2-oxazole-3-carboxylic acid?
The InChIKey is JBFWWHFXXKWBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-9(2)7-14(4-5-17-3)8-10-6-11(12(15)16)13-18-10/h6,9H,4-5,7-8H2,1-3H3,(H,15,16).
What are the key properties of 5-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-1,2-oxazole-3-carboxylic acid?
5-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-1,2-oxazole-3-carboxylic acid has a molecular weight of 256.30 g/mol, XLogP of 1.48, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 54986847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).