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

C20H20N2O6S — CID 12051742

IUPAC2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]sulfamoyl]acetic acid
SMILESCc1oc(-c2ccccc2)nc1CCOc1ccc(NS(=O)(=O)CC(=O)O)cc1
InChIInChI=1S/C20H20N2O6S/c1-14-18(21-20(28-14)15-5-3-2-4-6-15)11-12-27-17-9-7-16(8-10-17)22-29(25,26)13-19(23)24/h2-10,22H,11-13H2,1H3,(H,23,24)
InChIKeyFGAHXDSHKZIRNS-UHFFFAOYSA-N
MW416.46 g/mol
LogP3.10
Rot. Bonds9

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

2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]sulfamoyl]acetic acid (PubChem CID 12051742) has the molecular formula C20H20N2O6S and a molecular weight of 416.46 g/mol. Its IUPAC name is 2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]sulfamoyl]acetic acid.

Molecular Properties

Compound Name2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]sulfamoyl]acetic acid
PubChem CID12051742
Molecular FormulaC20H20N2O6S
Molecular Weight416.46 g/mol
Exact Mass416.10
IUPAC Name2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]sulfamoyl]acetic acid
SMILESCc1oc(-c2ccccc2)nc1CCOc1ccc(NS(=O)(=O)CC(=O)O)cc1
InChIInChI=1S/C20H20N2O6S/c1-14-18(21-20(28-14)15-5-3-2-4-6-15)11-12-27-17-9-7-16(8-10-17)22-29(25,26)13-19(23)24/h2-10,22H,11-13H2,1H3,(H,23,24)
InChIKeyFGAHXDSHKZIRNS-UHFFFAOYSA-N
XLogP3.10
TPSA118.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]sulfamoyl]acetic acid?
The IUPAC name of 2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]sulfamoyl]acetic acid (CID 12051742) is 2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]sulfamoyl]acetic acid.
What is the SMILES notation for 2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]sulfamoyl]acetic acid?
The canonical SMILES for 2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]sulfamoyl]acetic acid is Cc1oc(-c2ccccc2)nc1CCOc1ccc(NS(=O)(=O)CC(=O)O)cc1.
What is the InChIKey of 2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]sulfamoyl]acetic acid?
The InChIKey is FGAHXDSHKZIRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O6S/c1-14-18(21-20(28-14)15-5-3-2-4-6-15)11-12-27-17-9-7-16(8-10-17)22-29(25,26)13-19(23)24/h2-10,22H,11-13H2,1H3,(H,23,24).
What are the key properties of 2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]sulfamoyl]acetic acid?
2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]sulfamoyl]acetic acid has a molecular weight of 416.46 g/mol, XLogP of 3.10, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]sulfamoyl]acetic acid is sourced from PubChem (CID 12051742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).