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

C18H13F3N2O4S — CID 45497787

IUPAC2-(difluoromethylsulfonyl)-N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]benzamide
SMILESO=C(NCc1cc(-c2ccc(F)cc2)on1)c1ccccc1S(=O)(=O)C(F)F
InChIInChI=1S/C18H13F3N2O4S/c19-12-7-5-11(6-8-12)15-9-13(23-27-15)10-22-17(24)14-3-1-2-4-16(14)28(25,26)18(20)21/h1-9,18H,10H2,(H,22,24)
InChIKeyIZGAGPBXHFXYTF-UHFFFAOYSA-N
MW410.37 g/mol
LogP3.41
Rot. Bonds6

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

2-(difluoromethylsulfonyl)-N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]benzamide (PubChem CID 45497787) has the molecular formula C18H13F3N2O4S and a molecular weight of 410.37 g/mol. Its IUPAC name is 2-(difluoromethylsulfonyl)-N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]benzamide.

Molecular Properties

Compound Name2-(difluoromethylsulfonyl)-N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]benzamide
PubChem CID45497787
Molecular FormulaC18H13F3N2O4S
Molecular Weight410.37 g/mol
Exact Mass410.05
IUPAC Name2-(difluoromethylsulfonyl)-N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]benzamide
SMILESO=C(NCc1cc(-c2ccc(F)cc2)on1)c1ccccc1S(=O)(=O)C(F)F
InChIInChI=1S/C18H13F3N2O4S/c19-12-7-5-11(6-8-12)15-9-13(23-27-15)10-22-17(24)14-3-1-2-4-16(14)28(25,26)18(20)21/h1-9,18H,10H2,(H,22,24)
InChIKeyIZGAGPBXHFXYTF-UHFFFAOYSA-N
XLogP3.41
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.37
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(difluoromethylsulfonyl)-N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2-iodobenzamide
CID 16866881
N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-4-methylbenzamide
CID 16866853
2-methyl-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866597
4-bromo-N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866880
2-(difluoromethylsulfonyl)-N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 121195077
N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-methylbenzamide
CID 16866852
N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-fluorobenzamide
CID 16867253
N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-methylsulfanylbenzamide
CID 16867217
1-(4-fluorophenyl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]urea
CID 47093359
2,6-difluoro-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866628
N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-methoxybenzamide
CID 16866858
N-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl]-2-methylsulfanylbenzamide
CID 27370196

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfonyl)-N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]benzamide?
The IUPAC name of 2-(difluoromethylsulfonyl)-N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]benzamide (CID 45497787) is 2-(difluoromethylsulfonyl)-N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]benzamide.
What is the SMILES notation for 2-(difluoromethylsulfonyl)-N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]benzamide?
The canonical SMILES for 2-(difluoromethylsulfonyl)-N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]benzamide is O=C(NCc1cc(-c2ccc(F)cc2)on1)c1ccccc1S(=O)(=O)C(F)F.
What is the InChIKey of 2-(difluoromethylsulfonyl)-N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]benzamide?
The InChIKey is IZGAGPBXHFXYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2O4S/c19-12-7-5-11(6-8-12)15-9-13(23-27-15)10-22-17(24)14-3-1-2-4-16(14)28(25,26)18(20)21/h1-9,18H,10H2,(H,22,24).
What are the key properties of 2-(difluoromethylsulfonyl)-N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]benzamide?
2-(difluoromethylsulfonyl)-N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]benzamide has a molecular weight of 410.37 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfonyl)-N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]benzamide is sourced from PubChem (CID 45497787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).