3-(2-chloro-6-fluorophenyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide

C20H19ClFN3O4S — CID 2812924

IUPAC3-(2-chloro-6-fluorophenyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1c(-c2c(F)cccc2Cl)noc1C
InChIInChI=1S/C20H19ClFN3O4S/c1-11-8-9-13(30(27,28)25(3)4)10-16(11)23-20(26)17-12(2)29-24-19(17)18-14(21)6-5-7-15(18)22/h5-10H,1-4H3,(H,23,26)
InChIKeyFPIUULIXTFAZLW-UHFFFAOYSA-N
MW451.91 g/mol
LogP4.25
Rot. Bonds5

About 3-(2-chloro-6-fluorophenyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide

3-(2-chloro-6-fluorophenyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 2812924) has the molecular formula C20H19ClFN3O4S and a molecular weight of 451.91 g/mol. Its IUPAC name is 3-(2-chloro-6-fluorophenyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chloro-6-fluorophenyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID2812924
Molecular FormulaC20H19ClFN3O4S
Molecular Weight451.91 g/mol
Exact Mass451.08
IUPAC Name3-(2-chloro-6-fluorophenyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1c(-c2c(F)cccc2Cl)noc1C
InChIInChI=1S/C20H19ClFN3O4S/c1-11-8-9-13(30(27,28)25(3)4)10-16(11)23-20(26)17-12(2)29-24-19(17)18-14(21)6-5-7-15(18)22/h5-10H,1-4H3,(H,23,26)
InChIKeyFPIUULIXTFAZLW-UHFFFAOYSA-N
XLogP4.25
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.91
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-fluorophenyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chloro-6-fluorophenyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide (CID 2812924) is 3-(2-chloro-6-fluorophenyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chloro-6-fluorophenyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chloro-6-fluorophenyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide is Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1c(-c2c(F)cccc2Cl)noc1C.
What is the InChIKey of 3-(2-chloro-6-fluorophenyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is FPIUULIXTFAZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClFN3O4S/c1-11-8-9-13(30(27,28)25(3)4)10-16(11)23-20(26)17-12(2)29-24-19(17)18-14(21)6-5-7-15(18)22/h5-10H,1-4H3,(H,23,26).
What are the key properties of 3-(2-chloro-6-fluorophenyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide?
3-(2-chloro-6-fluorophenyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 451.91 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-fluorophenyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 2812924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).