3-(2-chlorophenyl)-5-methyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1,2-oxazole-4-carboxamide

C22H18ClN5O4S — CID 1150948

IUPAC3-(2-chlorophenyl)-5-methyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1,2-oxazole-4-carboxamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3c(-c4ccccc4Cl)noc3C)cc2)n1
InChIInChI=1S/C22H18ClN5O4S/c1-13-11-12-24-22(25-13)28-33(30,31)16-9-7-15(8-10-16)26-21(29)19-14(2)32-27-20(19)17-5-3-4-6-18(17)23/h3-12H,1-2H3,(H,26,29)(H,24,25,28)
InChIKeyCYQSIUMKXXNTJT-UHFFFAOYSA-N
MW483.94 g/mol
LogP4.45
Rot. Bonds6

About 3-(2-chlorophenyl)-5-methyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1,2-oxazole-4-carboxamide

3-(2-chlorophenyl)-5-methyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1,2-oxazole-4-carboxamide (PubChem CID 1150948) has the molecular formula C22H18ClN5O4S and a molecular weight of 483.94 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-5-methyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-5-methyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1,2-oxazole-4-carboxamide
PubChem CID1150948
Molecular FormulaC22H18ClN5O4S
Molecular Weight483.94 g/mol
Exact Mass483.08
IUPAC Name3-(2-chlorophenyl)-5-methyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1,2-oxazole-4-carboxamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3c(-c4ccccc4Cl)noc3C)cc2)n1
InChIInChI=1S/C22H18ClN5O4S/c1-13-11-12-24-22(25-13)28-33(30,31)16-9-7-15(8-10-16)26-21(29)19-14(2)32-27-20(19)17-5-3-4-6-18(17)23/h3-12H,1-2H3,(H,26,29)(H,24,25,28)
InChIKeyCYQSIUMKXXNTJT-UHFFFAOYSA-N
XLogP4.45
TPSA127.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.94
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-5-methyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-5-methyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1,2-oxazole-4-carboxamide (CID 1150948) is 3-(2-chlorophenyl)-5-methyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-5-methyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-5-methyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1,2-oxazole-4-carboxamide is Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3c(-c4ccccc4Cl)noc3C)cc2)n1.
What is the InChIKey of 3-(2-chlorophenyl)-5-methyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1,2-oxazole-4-carboxamide?
The InChIKey is CYQSIUMKXXNTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN5O4S/c1-13-11-12-24-22(25-13)28-33(30,31)16-9-7-15(8-10-16)26-21(29)19-14(2)32-27-20(19)17-5-3-4-6-18(17)23/h3-12H,1-2H3,(H,26,29)(H,24,25,28).
What are the key properties of 3-(2-chlorophenyl)-5-methyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1,2-oxazole-4-carboxamide?
3-(2-chlorophenyl)-5-methyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1,2-oxazole-4-carboxamide has a molecular weight of 483.94 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-5-methyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 1150948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).