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

C21H17N5O4S — CID 16804909

IUPACN-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3cc(-c4ccccc4)on3)cc2)n1
InChIInChI=1S/C21H17N5O4S/c1-14-11-12-22-21(23-14)26-31(28,29)17-9-7-16(8-10-17)24-20(27)18-13-19(30-25-18)15-5-3-2-4-6-15/h2-13H,1H3,(H,24,27)(H,22,23,26)
InChIKeyGXUNDDKSGPSMNH-UHFFFAOYSA-N
MW435.47 g/mol
LogP3.49
Rot. Bonds6

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

N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 16804909) has the molecular formula C21H17N5O4S and a molecular weight of 435.47 g/mol. Its IUPAC name is N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID16804909
Molecular FormulaC21H17N5O4S
Molecular Weight435.47 g/mol
Exact Mass435.10
IUPAC NameN-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3cc(-c4ccccc4)on3)cc2)n1
InChIInChI=1S/C21H17N5O4S/c1-14-11-12-22-21(23-14)26-31(28,29)17-9-7-16(8-10-17)24-20(27)18-13-19(30-25-18)15-5-3-2-4-6-15/h2-13H,1H3,(H,24,27)(H,22,23,26)
InChIKeyGXUNDDKSGPSMNH-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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Related Compounds

5-(4-ethoxyphenyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1,2-oxazole-3-carboxamide
CID 17010986
4-(benzenesulfonamido)-2-chloro-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 99943631
1-benzyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-6-oxopyridazine-3-carboxamide
CID 121067015
3-iodo-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 1150968
4-chloro-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]thiophene-3-carboxamide
CID 154848341
4-tert-butyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 1150961
4-iodo-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 38011101
(2R)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenylbutanamide
CID 1273275
N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide
CID 4575874
N-[4-[methyl(phenyl)sulfamoyl]phenyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 17011046
7-methoxy-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1-benzofuran-2-carboxamide
CID 38011887
2-N,6-N-bis[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]pyridine-2,6-dicarboxamide
CID 4054283

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-5-phenyl-1,2-oxazole-3-carboxamide (CID 16804909) is N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-5-phenyl-1,2-oxazole-3-carboxamide is Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3cc(-c4ccccc4)on3)cc2)n1.
What is the InChIKey of N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is GXUNDDKSGPSMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O4S/c1-14-11-12-22-21(23-14)26-31(28,29)17-9-7-16(8-10-17)24-20(27)18-13-19(30-25-18)15-5-3-2-4-6-15/h2-13H,1H3,(H,24,27)(H,22,23,26).
What are the key properties of N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-5-phenyl-1,2-oxazole-3-carboxamide?
N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-5-phenyl-1,2-oxazole-3-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 N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 16804909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).