3-(2-chloro-6-fluorophenyl)-5-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide

C21H15ClFN5O4S — CID 2355899

IUPAC3-(2-chloro-6-fluorophenyl)-5-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1
InChIInChI=1S/C21H15ClFN5O4S/c1-12-17(19(27-32-12)18-15(22)4-2-5-16(18)23)20(29)26-13-6-8-14(9-7-13)33(30,31)28-21-24-10-3-11-25-21/h2-11H,1H3,(H,26,29)(H,24,25,28)
InChIKeyDFTQSDZYKAZMFC-UHFFFAOYSA-N
MW487.90 g/mol
LogP4.29
Rot. Bonds6

About 3-(2-chloro-6-fluorophenyl)-5-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide

3-(2-chloro-6-fluorophenyl)-5-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide (PubChem CID 2355899) has the molecular formula C21H15ClFN5O4S and a molecular weight of 487.90 g/mol. Its IUPAC name is 3-(2-chloro-6-fluorophenyl)-5-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chloro-6-fluorophenyl)-5-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide
PubChem CID2355899
Molecular FormulaC21H15ClFN5O4S
Molecular Weight487.90 g/mol
Exact Mass487.05
IUPAC Name3-(2-chloro-6-fluorophenyl)-5-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1
InChIInChI=1S/C21H15ClFN5O4S/c1-12-17(19(27-32-12)18-15(22)4-2-5-16(18)23)20(29)26-13-6-8-14(9-7-13)33(30,31)28-21-24-10-3-11-25-21/h2-11H,1H3,(H,26,29)(H,24,25,28)
InChIKeyDFTQSDZYKAZMFC-UHFFFAOYSA-N
XLogP4.29
TPSA127.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.90
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-fluorophenyl)-5-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chloro-6-fluorophenyl)-5-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide (CID 2355899) is 3-(2-chloro-6-fluorophenyl)-5-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chloro-6-fluorophenyl)-5-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chloro-6-fluorophenyl)-5-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide is Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1.
What is the InChIKey of 3-(2-chloro-6-fluorophenyl)-5-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide?
The InChIKey is DFTQSDZYKAZMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClFN5O4S/c1-12-17(19(27-32-12)18-15(22)4-2-5-16(18)23)20(29)26-13-6-8-14(9-7-13)33(30,31)28-21-24-10-3-11-25-21/h2-11H,1H3,(H,26,29)(H,24,25,28).
What are the key properties of 3-(2-chloro-6-fluorophenyl)-5-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide?
3-(2-chloro-6-fluorophenyl)-5-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide has a molecular weight of 487.90 g/mol, XLogP of 4.29, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-fluorophenyl)-5-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 2355899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).