1-[4-[[4-(2-methyl-1,3-oxazol-5-yl)phenyl]sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxylic acid

C21H19N3O6S — CID 139000493

IUPAC1-[4-[[4-(2-methyl-1,3-oxazol-5-yl)phenyl]sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxylic acid
SMILESCc1ncc(-c2ccc(NS(=O)(=O)c3ccc(N4CC(C(=O)O)CC4=O)cc3)cc2)o1
InChIInChI=1S/C21H19N3O6S/c1-13-22-11-19(30-13)14-2-4-16(5-3-14)23-31(28,29)18-8-6-17(7-9-18)24-12-15(21(26)27)10-20(24)25/h2-9,11,15,23H,10,12H2,1H3,(H,26,27)
InChIKeyHNIMVVLMALIQCA-UHFFFAOYSA-N
MW441.47 g/mol
LogP2.89
Rot. Bonds6

About 1-[4-[[4-(2-methyl-1,3-oxazol-5-yl)phenyl]sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxylic acid

1-[4-[[4-(2-methyl-1,3-oxazol-5-yl)phenyl]sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 139000493) has the molecular formula C21H19N3O6S and a molecular weight of 441.47 g/mol. Its IUPAC name is 1-[4-[[4-(2-methyl-1,3-oxazol-5-yl)phenyl]sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[4-[[4-(2-methyl-1,3-oxazol-5-yl)phenyl]sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxylic acid
PubChem CID139000493
Molecular FormulaC21H19N3O6S
Molecular Weight441.47 g/mol
Exact Mass441.10
IUPAC Name1-[4-[[4-(2-methyl-1,3-oxazol-5-yl)phenyl]sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxylic acid
SMILESCc1ncc(-c2ccc(NS(=O)(=O)c3ccc(N4CC(C(=O)O)CC4=O)cc3)cc2)o1
InChIInChI=1S/C21H19N3O6S/c1-13-22-11-19(30-13)14-2-4-16(5-3-14)23-31(28,29)18-8-6-17(7-9-18)24-12-15(21(26)27)10-20(24)25/h2-9,11,15,23H,10,12H2,1H3,(H,26,27)
InChIKeyHNIMVVLMALIQCA-UHFFFAOYSA-N
XLogP2.89
TPSA129.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.47
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[4-[[4-(2-methyl-1,3-oxazol-5-yl)phenyl]sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxylic acid with MolForge

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Related Compounds

1-[4-[(4-methylthiophen-3-yl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 136516882
1-[4-(methanesulfonamido)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168690935
(3S)-1-[4-[(4-fluoro-3-nitrophenyl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 39324428
methyl (3R)-1-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxylate
CID 100804998
(3S)-1-[4-[(2-fluorophenyl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 39323749
(3S)-5-oxo-1-[4-[(5-phenylthiophen-3-yl)sulfamoyl]phenyl]pyrrolidine-3-carboxylic acid
CID 97256688
(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 778085
(3S)-1-[4-[(3-nitrophenyl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 39323493
1-[4-(1,3-oxazol-5-yl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168691764
(3R)-1-(4-methylphenyl)-5-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide
CID 2218530
1-(1,3-benzodioxol-5-yl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 55581237
(3R)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 1154558

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-(2-methyl-1,3-oxazol-5-yl)phenyl]sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[4-[[4-(2-methyl-1,3-oxazol-5-yl)phenyl]sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxylic acid (CID 139000493) is 1-[4-[[4-(2-methyl-1,3-oxazol-5-yl)phenyl]sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[4-[[4-(2-methyl-1,3-oxazol-5-yl)phenyl]sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[4-[[4-(2-methyl-1,3-oxazol-5-yl)phenyl]sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxylic acid is Cc1ncc(-c2ccc(NS(=O)(=O)c3ccc(N4CC(C(=O)O)CC4=O)cc3)cc2)o1.
What is the InChIKey of 1-[4-[[4-(2-methyl-1,3-oxazol-5-yl)phenyl]sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is HNIMVVLMALIQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O6S/c1-13-22-11-19(30-13)14-2-4-16(5-3-14)23-31(28,29)18-8-6-17(7-9-18)24-12-15(21(26)27)10-20(24)25/h2-9,11,15,23H,10,12H2,1H3,(H,26,27).
What are the key properties of 1-[4-[[4-(2-methyl-1,3-oxazol-5-yl)phenyl]sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxylic acid?
1-[4-[[4-(2-methyl-1,3-oxazol-5-yl)phenyl]sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 441.47 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-(2-methyl-1,3-oxazol-5-yl)phenyl]sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 139000493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).