5-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-1,2-oxazole-4-carboxylic acid

C13H20N2O4 — CID 112753460

IUPAC5-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-1,2-oxazole-4-carboxylic acid
SMILESO=C(O)c1cnoc1CN(CCO)C1CCCCC1
InChIInChI=1S/C13H20N2O4/c16-7-6-15(10-4-2-1-3-5-10)9-12-11(13(17)18)8-14-19-12/h8,10,16H,1-7,9H2,(H,17,18)
InChIKeyUYZQYMZRGHXZDJ-UHFFFAOYSA-N
MW268.31 g/mol
LogP1.50
Rot. Bonds6

About 5-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-1,2-oxazole-4-carboxylic acid

5-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-1,2-oxazole-4-carboxylic acid (PubChem CID 112753460) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 5-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-1,2-oxazole-4-carboxylic acid
PubChem CID112753460
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name5-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-1,2-oxazole-4-carboxylic acid
SMILESO=C(O)c1cnoc1CN(CCO)C1CCCCC1
InChIInChI=1S/C13H20N2O4/c16-7-6-15(10-4-2-1-3-5-10)9-12-11(13(17)18)8-14-19-12/h8,10,16H,1-7,9H2,(H,17,18)
InChIKeyUYZQYMZRGHXZDJ-UHFFFAOYSA-N
XLogP1.50
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-1,2-oxazole-4-carboxylic acid (CID 112753460) is 5-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-1,2-oxazole-4-carboxylic acid is O=C(O)c1cnoc1CN(CCO)C1CCCCC1.
What is the InChIKey of 5-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-1,2-oxazole-4-carboxylic acid?
The InChIKey is UYZQYMZRGHXZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c16-7-6-15(10-4-2-1-3-5-10)9-12-11(13(17)18)8-14-19-12/h8,10,16H,1-7,9H2,(H,17,18).
What are the key properties of 5-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-1,2-oxazole-4-carboxylic acid?
5-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-1,2-oxazole-4-carboxylic acid has a molecular weight of 268.31 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 112753460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).