2-(2,6-difluorophenyl)-5-[4-(dimethylsulfamoyl)anilino]-1,3-oxazole-4-carboxamide

C18H16F2N4O4S — CID 59587397

IUPAC2-(2,6-difluorophenyl)-5-[4-(dimethylsulfamoyl)anilino]-1,3-oxazole-4-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc(Nc2oc(-c3c(F)cccc3F)nc2C(N)=O)cc1
InChIInChI=1S/C18H16F2N4O4S/c1-24(2)29(26,27)11-8-6-10(7-9-11)22-18-15(16(21)25)23-17(28-18)14-12(19)4-3-5-13(14)20/h3-9,22H,1-2H3,(H2,21,25)
InChIKeyDBODMFAGCSCESZ-UHFFFAOYSA-N
MW422.41 g/mol
LogP2.71
Rot. Bonds6

About 2-(2,6-difluorophenyl)-5-[4-(dimethylsulfamoyl)anilino]-1,3-oxazole-4-carboxamide

2-(2,6-difluorophenyl)-5-[4-(dimethylsulfamoyl)anilino]-1,3-oxazole-4-carboxamide (PubChem CID 59587397) has the molecular formula C18H16F2N4O4S and a molecular weight of 422.41 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-5-[4-(dimethylsulfamoyl)anilino]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-5-[4-(dimethylsulfamoyl)anilino]-1,3-oxazole-4-carboxamide
PubChem CID59587397
Molecular FormulaC18H16F2N4O4S
Molecular Weight422.41 g/mol
Exact Mass422.09
IUPAC Name2-(2,6-difluorophenyl)-5-[4-(dimethylsulfamoyl)anilino]-1,3-oxazole-4-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc(Nc2oc(-c3c(F)cccc3F)nc2C(N)=O)cc1
InChIInChI=1S/C18H16F2N4O4S/c1-24(2)29(26,27)11-8-6-10(7-9-11)22-18-15(16(21)25)23-17(28-18)14-12(19)4-3-5-13(14)20/h3-9,22H,1-2H3,(H2,21,25)
InChIKeyDBODMFAGCSCESZ-UHFFFAOYSA-N
XLogP2.71
TPSA118.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.41
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,6-difluorophenyl)-5-(2-fluoro-5-methylsulfonylanilino)-1,3-oxazole-4-carboxamide
CID 59587467
5-(4-methylsulfinylanilino)-2-(2,4,6-trifluorophenyl)-1,3-oxazole-4-carboxamide
CID 146529958
2-(2,6-difluorophenyl)-5-[4-[5-(hydroxymethyl)-1,2-oxazol-3-yl]anilino]-1,3-oxazole-4-carboxamide;methane
CID 157365610
2-(2-chloro-6-fluorophenyl)-5-(4-piperidin-1-ylanilino)-1,3-oxazole-4-carboxamide
CID 147644204
2-(2,6-dimethylphenyl)-5-(4-piperazin-1-ylanilino)-1,3-oxazole-4-carboxamide
CID 59587513
2-(2-chloro-6-fluorophenyl)-5-[4-(cyclohexylcarbamoyl)anilino]-1,3-oxazole-4-carboxamide;2-(2-chloro-6-fluorophenyl)-5-[4-(piperidine-1-carbonyl)anilino]-1,3-oxazole-4-carboxamide
CID 167560687
5-(4-aminoanilino)-2-(2,6-difluorophenyl)-1,3-oxazole-4-carbonitrile
CID 59587450
2-(2,6-difluorophenyl)-5-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3-oxazole-4-carboxamide
CID 59587395
5-[(1,3-benzodioxol-5-ylamino)methyl]-2-(2,6-difluorophenyl)-1,3-oxazole-4-carboxamide
CID 90813230
4-[4-(dimethylsulfamoyl)anilino]butanamide
CID 60863966
[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2,6-difluorobenzoate
CID 2515162
2-(2,6-difluorophenyl)-5-(2-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 68520217

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-5-[4-(dimethylsulfamoyl)anilino]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(2,6-difluorophenyl)-5-[4-(dimethylsulfamoyl)anilino]-1,3-oxazole-4-carboxamide (CID 59587397) is 2-(2,6-difluorophenyl)-5-[4-(dimethylsulfamoyl)anilino]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(2,6-difluorophenyl)-5-[4-(dimethylsulfamoyl)anilino]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(2,6-difluorophenyl)-5-[4-(dimethylsulfamoyl)anilino]-1,3-oxazole-4-carboxamide is CN(C)S(=O)(=O)c1ccc(Nc2oc(-c3c(F)cccc3F)nc2C(N)=O)cc1.
What is the InChIKey of 2-(2,6-difluorophenyl)-5-[4-(dimethylsulfamoyl)anilino]-1,3-oxazole-4-carboxamide?
The InChIKey is DBODMFAGCSCESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4O4S/c1-24(2)29(26,27)11-8-6-10(7-9-11)22-18-15(16(21)25)23-17(28-18)14-12(19)4-3-5-13(14)20/h3-9,22H,1-2H3,(H2,21,25).
What are the key properties of 2-(2,6-difluorophenyl)-5-[4-(dimethylsulfamoyl)anilino]-1,3-oxazole-4-carboxamide?
2-(2,6-difluorophenyl)-5-[4-(dimethylsulfamoyl)anilino]-1,3-oxazole-4-carboxamide has a molecular weight of 422.41 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-5-[4-(dimethylsulfamoyl)anilino]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 59587397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).