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

C22H23F2N3O4S — CID 55894656

IUPAC3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]propanamide
SMILESCC(NC(=O)CCc1ncc(-c2ccc(F)cc2F)o1)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C22H23F2N3O4S/c1-14(15-4-7-17(8-5-15)32(29,30)27(2)3)26-21(28)10-11-22-25-13-20(31-22)18-9-6-16(23)12-19(18)24/h4-9,12-14H,10-11H2,1-3H3,(H,26,28)
InChIKeyFQKSYNFNWGZYAS-UHFFFAOYSA-N
MW463.51 g/mol
LogP3.68
Rot. Bonds8

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

3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]propanamide (PubChem CID 55894656) has the molecular formula C22H23F2N3O4S and a molecular weight of 463.51 g/mol. Its IUPAC name is 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]propanamide.

Molecular Properties

Compound Name3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]propanamide
PubChem CID55894656
Molecular FormulaC22H23F2N3O4S
Molecular Weight463.51 g/mol
Exact Mass463.14
IUPAC Name3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]propanamide
SMILESCC(NC(=O)CCc1ncc(-c2ccc(F)cc2F)o1)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C22H23F2N3O4S/c1-14(15-4-7-17(8-5-15)32(29,30)27(2)3)26-21(28)10-11-22-25-13-20(31-22)18-9-6-16(23)12-19(18)24/h4-9,12-14H,10-11H2,1-3H3,(H,26,28)
InChIKeyFQKSYNFNWGZYAS-UHFFFAOYSA-N
XLogP3.68
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.51
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[1-(4-ethylphenyl)ethyl]propanamide
CID 134036413
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide
CID 16591736
N-[(1S)-1-(3-chlorophenyl)ethyl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 29476568
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(3-methyl-1-phenylbutyl)propanamide
CID 22830619
N-[1-(4-chlorophenyl)ethyl]-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 42931318
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
CID 51315733
propan-2-yl 3-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-3-phenylpropanoate
CID 134011520
2-cyclopropyl-2-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]acetic acid
CID 119213751
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-(1-phenylethyl)propanamide
CID 51312353
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[4-(dimethylsulfamoyl)phenyl]propanamide
CID 16593632
N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 41475071
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(methylamino)ethyl]propanamide;dihydrochloride
CID 119501785

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]propanamide?
The IUPAC name of 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]propanamide (CID 55894656) is 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]propanamide.
What is the SMILES notation for 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]propanamide?
The canonical SMILES for 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]propanamide is CC(NC(=O)CCc1ncc(-c2ccc(F)cc2F)o1)c1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]propanamide?
The InChIKey is FQKSYNFNWGZYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N3O4S/c1-14(15-4-7-17(8-5-15)32(29,30)27(2)3)26-21(28)10-11-22-25-13-20(31-22)18-9-6-16(23)12-19(18)24/h4-9,12-14H,10-11H2,1-3H3,(H,26,28).
What are the key properties of 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]propanamide?
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]propanamide has a molecular weight of 463.51 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 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-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]propanamide is sourced from PubChem (CID 55894656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).