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

C20H15N5O4S — CID 118947388

IUPAC3-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1cc(-c2ccccc2)no1
InChIInChI=1S/C20H15N5O4S/c26-19(18-13-17(24-29-18)14-5-2-1-3-6-14)23-15-7-9-16(10-8-15)30(27,28)25-20-21-11-4-12-22-20/h1-13H,(H,23,26)(H,21,22,25)
InChIKeySKHUYLNRLIIPSF-UHFFFAOYSA-N
MW421.44 g/mol
LogP3.18
Rot. Bonds6

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

3-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1,2-oxazole-5-carboxamide (PubChem CID 118947388) has the molecular formula C20H15N5O4S and a molecular weight of 421.44 g/mol. Its IUPAC name is 3-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1,2-oxazole-5-carboxamide
PubChem CID118947388
Molecular FormulaC20H15N5O4S
Molecular Weight421.44 g/mol
Exact Mass421.08
IUPAC Name3-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1cc(-c2ccccc2)no1
InChIInChI=1S/C20H15N5O4S/c26-19(18-13-17(24-29-18)14-5-2-1-3-6-14)23-15-7-9-16(10-8-15)30(27,28)25-20-21-11-4-12-22-20/h1-13H,(H,23,26)(H,21,22,25)
InChIKeySKHUYLNRLIIPSF-UHFFFAOYSA-N
XLogP3.18
TPSA127.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.44
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1,2-oxazole-5-carboxamide (CID 118947388) is 3-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1,2-oxazole-5-carboxamide is O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1cc(-c2ccccc2)no1.
What is the InChIKey of 3-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1,2-oxazole-5-carboxamide?
The InChIKey is SKHUYLNRLIIPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O4S/c26-19(18-13-17(24-29-18)14-5-2-1-3-6-14)23-15-7-9-16(10-8-15)30(27,28)25-20-21-11-4-12-22-20/h1-13H,(H,23,26)(H,21,22,25).
What are the key properties of 3-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1,2-oxazole-5-carboxamide?
3-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1,2-oxazole-5-carboxamide has a molecular weight of 421.44 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 118947388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).