3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[[3-(methylsulfamoyl)phenyl]methyl]propanamide

C20H19F2N3O4S — CID 34643923

IUPAC3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[[3-(methylsulfamoyl)phenyl]methyl]propanamide
SMILESCNS(=O)(=O)c1cccc(CNC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)c1
InChIInChI=1S/C20H19F2N3O4S/c1-23-30(27,28)15-4-2-3-13(9-15)11-24-19(26)7-8-20-25-12-18(29-20)16-6-5-14(21)10-17(16)22/h2-6,9-10,12,23H,7-8,11H2,1H3,(H,24,26)
InChIKeyOYTHZTSYZSOVMC-UHFFFAOYSA-N
MW435.45 g/mol
LogP2.78
Rot. Bonds8

About 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[[3-(methylsulfamoyl)phenyl]methyl]propanamide

3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[[3-(methylsulfamoyl)phenyl]methyl]propanamide (PubChem CID 34643923) has the molecular formula C20H19F2N3O4S and a molecular weight of 435.45 g/mol. Its IUPAC name is 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[[3-(methylsulfamoyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[[3-(methylsulfamoyl)phenyl]methyl]propanamide
PubChem CID34643923
Molecular FormulaC20H19F2N3O4S
Molecular Weight435.45 g/mol
Exact Mass435.11
IUPAC Name3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[[3-(methylsulfamoyl)phenyl]methyl]propanamide
SMILESCNS(=O)(=O)c1cccc(CNC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)c1
InChIInChI=1S/C20H19F2N3O4S/c1-23-30(27,28)15-4-2-3-13(9-15)11-24-19(26)7-8-20-25-12-18(29-20)16-6-5-14(21)10-17(16)22/h2-6,9-10,12,23H,7-8,11H2,1H3,(H,24,26)
InChIKeyOYTHZTSYZSOVMC-UHFFFAOYSA-N
XLogP2.78
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.45
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[(4-methoxyphenyl)methyl]propanamide
CID 16596736
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(methylamino)ethyl]propanamide;dihydrochloride
CID 119501785
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]propanamide
CID 55954808
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]propanamide
CID 87043584
N-(2-aminoethyl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 119383503
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 32990182
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]propanamide
CID 55800859
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-oxo-2-(propylamino)ethyl]propanamide
CID 18162891
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[[2-(ethoxymethyl)phenyl]methyl]propanamide
CID 37397863
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[(4-fluorophenyl)methyl]propanamide
CID 17444318
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 134036431
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]propanamide
CID 39220628

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[[3-(methylsulfamoyl)phenyl]methyl]propanamide?
The IUPAC name of 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[[3-(methylsulfamoyl)phenyl]methyl]propanamide (CID 34643923) is 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[[3-(methylsulfamoyl)phenyl]methyl]propanamide.
What is the SMILES notation for 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[[3-(methylsulfamoyl)phenyl]methyl]propanamide?
The canonical SMILES for 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[[3-(methylsulfamoyl)phenyl]methyl]propanamide is CNS(=O)(=O)c1cccc(CNC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)c1.
What is the InChIKey of 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[[3-(methylsulfamoyl)phenyl]methyl]propanamide?
The InChIKey is OYTHZTSYZSOVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O4S/c1-23-30(27,28)15-4-2-3-13(9-15)11-24-19(26)7-8-20-25-12-18(29-20)16-6-5-14(21)10-17(16)22/h2-6,9-10,12,23H,7-8,11H2,1H3,(H,24,26).
What are the key properties of 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[[3-(methylsulfamoyl)phenyl]methyl]propanamide?
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[[3-(methylsulfamoyl)phenyl]methyl]propanamide has a molecular weight of 435.45 g/mol, XLogP of 2.78, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[[3-(methylsulfamoyl)phenyl]methyl]propanamide is sourced from PubChem (CID 34643923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).