2-[3-(3,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-(2-phenylethyl)acetamide

C20H20F2N2O2 — CID 59723755

IUPAC2-[3-(3,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-(2-phenylethyl)acetamide
SMILESCN(CCc1ccccc1)C(=O)CC1CC(c2ccc(F)c(F)c2)=NO1
InChIInChI=1S/C20H20F2N2O2/c1-24(10-9-14-5-3-2-4-6-14)20(25)13-16-12-19(23-26-16)15-7-8-17(21)18(22)11-15/h2-8,11,16H,9-10,12-13H2,1H3
InChIKeyKWTJFXXOJFZEBW-UHFFFAOYSA-N
MW358.39 g/mol
LogP3.55
Rot. Bonds6

About 2-[3-(3,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-(2-phenylethyl)acetamide

2-[3-(3,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-(2-phenylethyl)acetamide (PubChem CID 59723755) has the molecular formula C20H20F2N2O2 and a molecular weight of 358.39 g/mol. Its IUPAC name is 2-[3-(3,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[3-(3,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-(2-phenylethyl)acetamide
PubChem CID59723755
Molecular FormulaC20H20F2N2O2
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Name2-[3-(3,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-(2-phenylethyl)acetamide
SMILESCN(CCc1ccccc1)C(=O)CC1CC(c2ccc(F)c(F)c2)=NO1
InChIInChI=1S/C20H20F2N2O2/c1-24(10-9-14-5-3-2-4-6-14)20(25)13-16-12-19(23-26-16)15-7-8-17(21)18(22)11-15/h2-8,11,16H,9-10,12-13H2,1H3
InChIKeyKWTJFXXOJFZEBW-UHFFFAOYSA-N
XLogP3.55
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[3-(3,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-(2-phenylethyl)acetamide 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-[3-(3,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[3-(3,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-(2-phenylethyl)acetamide (CID 59723755) is 2-[3-(3,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[3-(3,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[3-(3,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-(2-phenylethyl)acetamide is CN(CCc1ccccc1)C(=O)CC1CC(c2ccc(F)c(F)c2)=NO1.
What is the InChIKey of 2-[3-(3,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-(2-phenylethyl)acetamide?
The InChIKey is KWTJFXXOJFZEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N2O2/c1-24(10-9-14-5-3-2-4-6-14)20(25)13-16-12-19(23-26-16)15-7-8-17(21)18(22)11-15/h2-8,11,16H,9-10,12-13H2,1H3.
What are the key properties of 2-[3-(3,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-(2-phenylethyl)acetamide?
2-[3-(3,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-(2-phenylethyl)acetamide has a molecular weight of 358.39 g/mol, XLogP of 3.55, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 59723755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).