N-[[3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-phenoxyacetamide

C19H19FN2O3 — CID 45187216

IUPACN-[[3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NCC1CC(Cc2cccc(F)c2)=NO1
InChIInChI=1S/C19H19FN2O3/c20-15-6-4-5-14(9-15)10-16-11-18(25-22-16)12-21-19(23)13-24-17-7-2-1-3-8-17/h1-9,18H,10-13H2,(H,21,23)
InChIKeyVWCYEDSXYQXMPW-UHFFFAOYSA-N
MW342.37 g/mol
LogP2.71
Rot. Bonds7

About N-[[3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-phenoxyacetamide

N-[[3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-phenoxyacetamide (PubChem CID 45187216) has the molecular formula C19H19FN2O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is N-[[3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[[3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-phenoxyacetamide
PubChem CID45187216
Molecular FormulaC19H19FN2O3
Molecular Weight342.37 g/mol
Exact Mass342.14
IUPAC NameN-[[3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NCC1CC(Cc2cccc(F)c2)=NO1
InChIInChI=1S/C19H19FN2O3/c20-15-6-4-5-14(9-15)10-16-11-18(25-22-16)12-21-19(23)13-24-17-7-2-1-3-8-17/h1-9,18H,10-13H2,(H,21,23)
InChIKeyVWCYEDSXYQXMPW-UHFFFAOYSA-N
XLogP2.71
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-phenoxyacetamide 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 N-[[3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-phenoxyacetamide?
The IUPAC name of N-[[3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-phenoxyacetamide (CID 45187216) is N-[[3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[[3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-phenoxyacetamide?
The canonical SMILES for N-[[3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-phenoxyacetamide is O=C(COc1ccccc1)NCC1CC(Cc2cccc(F)c2)=NO1.
What is the InChIKey of N-[[3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-phenoxyacetamide?
The InChIKey is VWCYEDSXYQXMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O3/c20-15-6-4-5-14(9-15)10-16-11-18(25-22-16)12-21-19(23)13-24-17-7-2-1-3-8-17/h1-9,18H,10-13H2,(H,21,23).
What are the key properties of N-[[3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-phenoxyacetamide?
N-[[3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-phenoxyacetamide has a molecular weight of 342.37 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-phenoxyacetamide is sourced from PubChem (CID 45187216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).