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

C13H20N2O3 — CID 103246776

IUPAC5-[[(2-ethylcyclohexyl)amino]methyl]-1,2-oxazole-3-carboxylic acid
SMILESCCC1CCCCC1NCc1cc(C(=O)O)no1
InChIInChI=1S/C13H20N2O3/c1-2-9-5-3-4-6-11(9)14-8-10-7-12(13(16)17)15-18-10/h7,9,11,14H,2-6,8H2,1H3,(H,16,17)
InChIKeyGKRFDUYSDZLJLH-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.43
Rot. Bonds5

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

5-[[(2-ethylcyclohexyl)amino]methyl]-1,2-oxazole-3-carboxylic acid (PubChem CID 103246776) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 5-[[(2-ethylcyclohexyl)amino]methyl]-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[[(2-ethylcyclohexyl)amino]methyl]-1,2-oxazole-3-carboxylic acid
PubChem CID103246776
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name5-[[(2-ethylcyclohexyl)amino]methyl]-1,2-oxazole-3-carboxylic acid
SMILESCCC1CCCCC1NCc1cc(C(=O)O)no1
InChIInChI=1S/C13H20N2O3/c1-2-9-5-3-4-6-11(9)14-8-10-7-12(13(16)17)15-18-10/h7,9,11,14H,2-6,8H2,1H3,(H,16,17)
InChIKeyGKRFDUYSDZLJLH-UHFFFAOYSA-N
XLogP2.43
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[(2-ethylcyclohexyl)amino]methyl]-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[[(2-ethylcyclohexyl)amino]methyl]-1,2-oxazole-3-carboxylic acid (CID 103246776) is 5-[[(2-ethylcyclohexyl)amino]methyl]-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[[(2-ethylcyclohexyl)amino]methyl]-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[[(2-ethylcyclohexyl)amino]methyl]-1,2-oxazole-3-carboxylic acid is CCC1CCCCC1NCc1cc(C(=O)O)no1.
What is the InChIKey of 5-[[(2-ethylcyclohexyl)amino]methyl]-1,2-oxazole-3-carboxylic acid?
The InChIKey is GKRFDUYSDZLJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-2-9-5-3-4-6-11(9)14-8-10-7-12(13(16)17)15-18-10/h7,9,11,14H,2-6,8H2,1H3,(H,16,17).
What are the key properties of 5-[[(2-ethylcyclohexyl)amino]methyl]-1,2-oxazole-3-carboxylic acid?
5-[[(2-ethylcyclohexyl)amino]methyl]-1,2-oxazole-3-carboxylic acid has a molecular weight of 252.31 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-ethylcyclohexyl)amino]methyl]-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 103246776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).