2-(2,6-difluorophenyl)-5-(2-fluoro-5-methylsulfonylanilino)-1,3-oxazole-4-carboxamide

C17H12F3N3O4S — CID 59587467

IUPAC2-(2,6-difluorophenyl)-5-(2-fluoro-5-methylsulfonylanilino)-1,3-oxazole-4-carboxamide
SMILESCS(=O)(=O)c1ccc(F)c(Nc2oc(-c3c(F)cccc3F)nc2C(N)=O)c1
InChIInChI=1S/C17H12F3N3O4S/c1-28(25,26)8-5-6-9(18)12(7-8)22-17-14(15(21)24)23-16(27-17)13-10(19)3-2-4-11(13)20/h2-7,22H,1H3,(H2,21,24)
InChIKeyBHDJCQUTQYHHQQ-UHFFFAOYSA-N
MW411.36 g/mol
LogP3.00
Rot. Bonds5

About 2-(2,6-difluorophenyl)-5-(2-fluoro-5-methylsulfonylanilino)-1,3-oxazole-4-carboxamide

2-(2,6-difluorophenyl)-5-(2-fluoro-5-methylsulfonylanilino)-1,3-oxazole-4-carboxamide (PubChem CID 59587467) has the molecular formula C17H12F3N3O4S and a molecular weight of 411.36 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-5-(2-fluoro-5-methylsulfonylanilino)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-5-(2-fluoro-5-methylsulfonylanilino)-1,3-oxazole-4-carboxamide
PubChem CID59587467
Molecular FormulaC17H12F3N3O4S
Molecular Weight411.36 g/mol
Exact Mass411.05
IUPAC Name2-(2,6-difluorophenyl)-5-(2-fluoro-5-methylsulfonylanilino)-1,3-oxazole-4-carboxamide
SMILESCS(=O)(=O)c1ccc(F)c(Nc2oc(-c3c(F)cccc3F)nc2C(N)=O)c1
InChIInChI=1S/C17H12F3N3O4S/c1-28(25,26)8-5-6-9(18)12(7-8)22-17-14(15(21)24)23-16(27-17)13-10(19)3-2-4-11(13)20/h2-7,22H,1H3,(H2,21,24)
InChIKeyBHDJCQUTQYHHQQ-UHFFFAOYSA-N
XLogP3.00
TPSA115.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.36
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,6-difluorophenyl)-5-[4-(dimethylsulfamoyl)anilino]-1,3-oxazole-4-carboxamide
CID 59587397
2-(2,6-difluorophenyl)-5-(3-piperazin-1-ylanilino)-1,3-oxazole-4-carboxamide
CID 59587658
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
6-chloro-N-(2-fluoro-5-methylsulfonylphenyl)pyridine-2-carboxamide
CID 62234738
4-amino-N-(2-fluoro-5-methylsulfonylphenyl)-1,2,5-oxadiazole-3-carboxamide
CID 62688137
2-(2,6-difluorophenyl)-5-[4-(1-hydroxyethylamino)phenyl]-1,3-oxazole-4-carboxamide
CID 91386099
N-[(6-bromo-2-pyridinyl)methyl]-2-fluoro-5-methylsulfonylaniline
CID 115937982
4-fluoro-N-(2-fluoro-5-methylsulfonylphenyl)-1-benzothiophene-2-carboxamide
CID 31931032
2-(2-fluoro-6-phosphanylphenyl)-5-phenyl-1,3-oxazole-4-carboxamide
CID 143993495
3,5-difluoro-4-(3-methylsulfonylphenyl)benzamide
CID 172648780
(2R)-2-amino-N-(2-fluoro-5-methylsulfonylphenyl)-3,3-dimethylbutanamide
CID 103928803

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-5-(2-fluoro-5-methylsulfonylanilino)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(2,6-difluorophenyl)-5-(2-fluoro-5-methylsulfonylanilino)-1,3-oxazole-4-carboxamide (CID 59587467) is 2-(2,6-difluorophenyl)-5-(2-fluoro-5-methylsulfonylanilino)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(2,6-difluorophenyl)-5-(2-fluoro-5-methylsulfonylanilino)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(2,6-difluorophenyl)-5-(2-fluoro-5-methylsulfonylanilino)-1,3-oxazole-4-carboxamide is CS(=O)(=O)c1ccc(F)c(Nc2oc(-c3c(F)cccc3F)nc2C(N)=O)c1.
What is the InChIKey of 2-(2,6-difluorophenyl)-5-(2-fluoro-5-methylsulfonylanilino)-1,3-oxazole-4-carboxamide?
The InChIKey is BHDJCQUTQYHHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3O4S/c1-28(25,26)8-5-6-9(18)12(7-8)22-17-14(15(21)24)23-16(27-17)13-10(19)3-2-4-11(13)20/h2-7,22H,1H3,(H2,21,24).
What are the key properties of 2-(2,6-difluorophenyl)-5-(2-fluoro-5-methylsulfonylanilino)-1,3-oxazole-4-carboxamide?
2-(2,6-difluorophenyl)-5-(2-fluoro-5-methylsulfonylanilino)-1,3-oxazole-4-carboxamide has a molecular weight of 411.36 g/mol, XLogP of 3.00, 5 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-(2-fluoro-5-methylsulfonylanilino)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 59587467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).