methyl 2-[5-[1-[ethyl(methyl)amino]oxyethyl]-1,3-oxazol-2-yl]acetate

C11H18N2O4 — CID 58551969

IUPACmethyl 2-[5-[1-[ethyl(methyl)amino]oxyethyl]-1,3-oxazol-2-yl]acetate
SMILESCCN(C)OC(C)c1cnc(CC(=O)OC)o1
InChIInChI=1S/C11H18N2O4/c1-5-13(3)17-8(2)9-7-12-10(16-9)6-11(14)15-4/h7-8H,5-6H2,1-4H3
InChIKeyLTTUEDKCKXEQIS-UHFFFAOYSA-N
MW242.27 g/mol
LogP1.33
Rot. Bonds6

About methyl 2-[5-[1-[ethyl(methyl)amino]oxyethyl]-1,3-oxazol-2-yl]acetate

methyl 2-[5-[1-[ethyl(methyl)amino]oxyethyl]-1,3-oxazol-2-yl]acetate (PubChem CID 58551969) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is methyl 2-[5-[1-[ethyl(methyl)amino]oxyethyl]-1,3-oxazol-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-[1-[ethyl(methyl)amino]oxyethyl]-1,3-oxazol-2-yl]acetate
PubChem CID58551969
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Namemethyl 2-[5-[1-[ethyl(methyl)amino]oxyethyl]-1,3-oxazol-2-yl]acetate
SMILESCCN(C)OC(C)c1cnc(CC(=O)OC)o1
InChIInChI=1S/C11H18N2O4/c1-5-13(3)17-8(2)9-7-12-10(16-9)6-11(14)15-4/h7-8H,5-6H2,1-4H3
InChIKeyLTTUEDKCKXEQIS-UHFFFAOYSA-N
XLogP1.33
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-[1-[ethyl(methyl)amino]oxyethyl]-1,3-oxazol-2-yl]acetate?
The IUPAC name of methyl 2-[5-[1-[ethyl(methyl)amino]oxyethyl]-1,3-oxazol-2-yl]acetate (CID 58551969) is methyl 2-[5-[1-[ethyl(methyl)amino]oxyethyl]-1,3-oxazol-2-yl]acetate.
What is the SMILES notation for methyl 2-[5-[1-[ethyl(methyl)amino]oxyethyl]-1,3-oxazol-2-yl]acetate?
The canonical SMILES for methyl 2-[5-[1-[ethyl(methyl)amino]oxyethyl]-1,3-oxazol-2-yl]acetate is CCN(C)OC(C)c1cnc(CC(=O)OC)o1.
What is the InChIKey of methyl 2-[5-[1-[ethyl(methyl)amino]oxyethyl]-1,3-oxazol-2-yl]acetate?
The InChIKey is LTTUEDKCKXEQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-5-13(3)17-8(2)9-7-12-10(16-9)6-11(14)15-4/h7-8H,5-6H2,1-4H3.
What are the key properties of methyl 2-[5-[1-[ethyl(methyl)amino]oxyethyl]-1,3-oxazol-2-yl]acetate?
methyl 2-[5-[1-[ethyl(methyl)amino]oxyethyl]-1,3-oxazol-2-yl]acetate has a molecular weight of 242.27 g/mol, XLogP of 1.33, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-[1-[ethyl(methyl)amino]oxyethyl]-1,3-oxazol-2-yl]acetate is sourced from PubChem (CID 58551969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).