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

C21H17N5O4S — CID 1164443

IUPAC5-methyl-3-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1
InChIInChI=1S/C21H17N5O4S/c1-14-18(19(25-30-14)15-6-3-2-4-7-15)20(27)24-16-8-10-17(11-9-16)31(28,29)26-21-22-12-5-13-23-21/h2-13H,1H3,(H,24,27)(H,22,23,26)
InChIKeyNXEGZWIILLRUAX-UHFFFAOYSA-N
MW435.47 g/mol
LogP3.49
Rot. Bonds6

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

5-methyl-3-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide (PubChem CID 1164443) has the molecular formula C21H17N5O4S and a molecular weight of 435.47 g/mol. Its IUPAC name is 5-methyl-3-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-3-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide
PubChem CID1164443
Molecular FormulaC21H17N5O4S
Molecular Weight435.47 g/mol
Exact Mass435.10
IUPAC Name5-methyl-3-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1
InChIInChI=1S/C21H17N5O4S/c1-14-18(19(25-30-14)15-6-3-2-4-7-15)20(27)24-16-8-10-17(11-9-16)31(28,29)26-21-22-12-5-13-23-21/h2-13H,1H3,(H,24,27)(H,22,23,26)
InChIKeyNXEGZWIILLRUAX-UHFFFAOYSA-N
XLogP3.49
TPSA127.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.47
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-3-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide (CID 1164443) is 5-methyl-3-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-3-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-3-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1.
What is the InChIKey of 5-methyl-3-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide?
The InChIKey is NXEGZWIILLRUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O4S/c1-14-18(19(25-30-14)15-6-3-2-4-7-15)20(27)24-16-8-10-17(11-9-16)31(28,29)26-21-22-12-5-13-23-21/h2-13H,1H3,(H,24,27)(H,22,23,26).
What are the key properties of 5-methyl-3-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide?
5-methyl-3-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide has a molecular weight of 435.47 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 1164443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).