5-[(2,5-dimethylmorpholin-4-yl)methyl]-1,2-oxazole-3-carboxylic acid

C11H16N2O4 — CID 61397972

IUPAC5-[(2,5-dimethylmorpholin-4-yl)methyl]-1,2-oxazole-3-carboxylic acid
SMILESCC1CN(Cc2cc(C(=O)O)no2)C(C)CO1
InChIInChI=1S/C11H16N2O4/c1-7-6-16-8(2)4-13(7)5-9-3-10(11(14)15)12-17-9/h3,7-8H,4-6H2,1-2H3,(H,14,15)
InChIKeyFPAFEZSDYTVZDC-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.98
Rot. Bonds3

About 5-[(2,5-dimethylmorpholin-4-yl)methyl]-1,2-oxazole-3-carboxylic acid

5-[(2,5-dimethylmorpholin-4-yl)methyl]-1,2-oxazole-3-carboxylic acid (PubChem CID 61397972) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 5-[(2,5-dimethylmorpholin-4-yl)methyl]-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[(2,5-dimethylmorpholin-4-yl)methyl]-1,2-oxazole-3-carboxylic acid
PubChem CID61397972
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name5-[(2,5-dimethylmorpholin-4-yl)methyl]-1,2-oxazole-3-carboxylic acid
SMILESCC1CN(Cc2cc(C(=O)O)no2)C(C)CO1
InChIInChI=1S/C11H16N2O4/c1-7-6-16-8(2)4-13(7)5-9-3-10(11(14)15)12-17-9/h3,7-8H,4-6H2,1-2H3,(H,14,15)
InChIKeyFPAFEZSDYTVZDC-UHFFFAOYSA-N
XLogP0.98
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-dimethylmorpholin-4-yl)methyl]-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[(2,5-dimethylmorpholin-4-yl)methyl]-1,2-oxazole-3-carboxylic acid (CID 61397972) is 5-[(2,5-dimethylmorpholin-4-yl)methyl]-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[(2,5-dimethylmorpholin-4-yl)methyl]-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[(2,5-dimethylmorpholin-4-yl)methyl]-1,2-oxazole-3-carboxylic acid is CC1CN(Cc2cc(C(=O)O)no2)C(C)CO1.
What is the InChIKey of 5-[(2,5-dimethylmorpholin-4-yl)methyl]-1,2-oxazole-3-carboxylic acid?
The InChIKey is FPAFEZSDYTVZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-7-6-16-8(2)4-13(7)5-9-3-10(11(14)15)12-17-9/h3,7-8H,4-6H2,1-2H3,(H,14,15).
What are the key properties of 5-[(2,5-dimethylmorpholin-4-yl)methyl]-1,2-oxazole-3-carboxylic acid?
5-[(2,5-dimethylmorpholin-4-yl)methyl]-1,2-oxazole-3-carboxylic acid has a molecular weight of 240.26 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-dimethylmorpholin-4-yl)methyl]-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 61397972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).