2-(ethoxymethyl)-N-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]morpholine-4-carboxamide

C17H20FN3O4 — CID 154765439

IUPAC2-(ethoxymethyl)-N-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]morpholine-4-carboxamide
SMILESCCOCC1CN(C(=O)Nc2cc(-c3ccccc3F)on2)CCO1
InChIInChI=1S/C17H20FN3O4/c1-2-23-11-12-10-21(7-8-24-12)17(22)19-16-9-15(25-20-16)13-5-3-4-6-14(13)18/h3-6,9,12H,2,7-8,10-11H2,1H3,(H,19,20,22)
InChIKeyJJLXFQOZBPKYKD-UHFFFAOYSA-N
MW349.36 g/mol
LogP2.75
Rot. Bonds5

About 2-(ethoxymethyl)-N-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]morpholine-4-carboxamide

2-(ethoxymethyl)-N-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]morpholine-4-carboxamide (PubChem CID 154765439) has the molecular formula C17H20FN3O4 and a molecular weight of 349.36 g/mol. Its IUPAC name is 2-(ethoxymethyl)-N-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]morpholine-4-carboxamide.

Molecular Properties

Compound Name2-(ethoxymethyl)-N-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]morpholine-4-carboxamide
PubChem CID154765439
Molecular FormulaC17H20FN3O4
Molecular Weight349.36 g/mol
Exact Mass349.14
IUPAC Name2-(ethoxymethyl)-N-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]morpholine-4-carboxamide
SMILESCCOCC1CN(C(=O)Nc2cc(-c3ccccc3F)on2)CCO1
InChIInChI=1S/C17H20FN3O4/c1-2-23-11-12-10-21(7-8-24-12)17(22)19-16-9-15(25-20-16)13-5-3-4-6-14(13)18/h3-6,9,12H,2,7-8,10-11H2,1H3,(H,19,20,22)
InChIKeyJJLXFQOZBPKYKD-UHFFFAOYSA-N
XLogP2.75
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-N-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]morpholine-4-carboxamide?
The IUPAC name of 2-(ethoxymethyl)-N-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]morpholine-4-carboxamide (CID 154765439) is 2-(ethoxymethyl)-N-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]morpholine-4-carboxamide.
What is the SMILES notation for 2-(ethoxymethyl)-N-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]morpholine-4-carboxamide?
The canonical SMILES for 2-(ethoxymethyl)-N-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]morpholine-4-carboxamide is CCOCC1CN(C(=O)Nc2cc(-c3ccccc3F)on2)CCO1.
What is the InChIKey of 2-(ethoxymethyl)-N-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]morpholine-4-carboxamide?
The InChIKey is JJLXFQOZBPKYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O4/c1-2-23-11-12-10-21(7-8-24-12)17(22)19-16-9-15(25-20-16)13-5-3-4-6-14(13)18/h3-6,9,12H,2,7-8,10-11H2,1H3,(H,19,20,22).
What are the key properties of 2-(ethoxymethyl)-N-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]morpholine-4-carboxamide?
2-(ethoxymethyl)-N-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]morpholine-4-carboxamide has a molecular weight of 349.36 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-N-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]morpholine-4-carboxamide is sourced from PubChem (CID 154765439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).