2-[(2,3-difluorophenoxy)methyl]-N-[1-(methylamino)-1-oxobutan-2-yl]-1,3-oxazole-4-carboxamide

C16H17F2N3O4 — CID 56722996

IUPAC2-[(2,3-difluorophenoxy)methyl]-N-[1-(methylamino)-1-oxobutan-2-yl]-1,3-oxazole-4-carboxamide
SMILESCCC(NC(=O)c1coc(COc2cccc(F)c2F)n1)C(=O)NC
InChIInChI=1S/C16H17F2N3O4/c1-3-10(15(22)19-2)21-16(23)11-7-25-13(20-11)8-24-12-6-4-5-9(17)14(12)18/h4-7,10H,3,8H2,1-2H3,(H,19,22)(H,21,23)
InChIKeyJMRZGGDDDMLZSX-UHFFFAOYSA-N
MW353.33 g/mol
LogP1.79
Rot. Bonds7

About 2-[(2,3-difluorophenoxy)methyl]-N-[1-(methylamino)-1-oxobutan-2-yl]-1,3-oxazole-4-carboxamide

2-[(2,3-difluorophenoxy)methyl]-N-[1-(methylamino)-1-oxobutan-2-yl]-1,3-oxazole-4-carboxamide (PubChem CID 56722996) has the molecular formula C16H17F2N3O4 and a molecular weight of 353.33 g/mol. Its IUPAC name is 2-[(2,3-difluorophenoxy)methyl]-N-[1-(methylamino)-1-oxobutan-2-yl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[(2,3-difluorophenoxy)methyl]-N-[1-(methylamino)-1-oxobutan-2-yl]-1,3-oxazole-4-carboxamide
PubChem CID56722996
Molecular FormulaC16H17F2N3O4
Molecular Weight353.33 g/mol
Exact Mass353.12
IUPAC Name2-[(2,3-difluorophenoxy)methyl]-N-[1-(methylamino)-1-oxobutan-2-yl]-1,3-oxazole-4-carboxamide
SMILESCCC(NC(=O)c1coc(COc2cccc(F)c2F)n1)C(=O)NC
InChIInChI=1S/C16H17F2N3O4/c1-3-10(15(22)19-2)21-16(23)11-7-25-13(20-11)8-24-12-6-4-5-9(17)14(12)18/h4-7,10H,3,8H2,1-2H3,(H,19,22)(H,21,23)
InChIKeyJMRZGGDDDMLZSX-UHFFFAOYSA-N
XLogP1.79
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.33
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(2,3-difluorophenoxy)methyl]-N-[1-(methylamino)-1-oxobutan-2-yl]-1,3-oxazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-difluorophenoxy)methyl]-N-[1-(methylamino)-1-oxobutan-2-yl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[(2,3-difluorophenoxy)methyl]-N-[1-(methylamino)-1-oxobutan-2-yl]-1,3-oxazole-4-carboxamide (CID 56722996) is 2-[(2,3-difluorophenoxy)methyl]-N-[1-(methylamino)-1-oxobutan-2-yl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[(2,3-difluorophenoxy)methyl]-N-[1-(methylamino)-1-oxobutan-2-yl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[(2,3-difluorophenoxy)methyl]-N-[1-(methylamino)-1-oxobutan-2-yl]-1,3-oxazole-4-carboxamide is CCC(NC(=O)c1coc(COc2cccc(F)c2F)n1)C(=O)NC.
What is the InChIKey of 2-[(2,3-difluorophenoxy)methyl]-N-[1-(methylamino)-1-oxobutan-2-yl]-1,3-oxazole-4-carboxamide?
The InChIKey is JMRZGGDDDMLZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O4/c1-3-10(15(22)19-2)21-16(23)11-7-25-13(20-11)8-24-12-6-4-5-9(17)14(12)18/h4-7,10H,3,8H2,1-2H3,(H,19,22)(H,21,23).
What are the key properties of 2-[(2,3-difluorophenoxy)methyl]-N-[1-(methylamino)-1-oxobutan-2-yl]-1,3-oxazole-4-carboxamide?
2-[(2,3-difluorophenoxy)methyl]-N-[1-(methylamino)-1-oxobutan-2-yl]-1,3-oxazole-4-carboxamide has a molecular weight of 353.33 g/mol, XLogP of 1.79, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-difluorophenoxy)methyl]-N-[1-(methylamino)-1-oxobutan-2-yl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 56722996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).