2-[[4-(4-methylphenyl)-1,3-oxazol-2-yl]sulfamoyl]acetic acid

C12H12N2O5S — CID 139222040

IUPAC2-[[4-(4-methylphenyl)-1,3-oxazol-2-yl]sulfamoyl]acetic acid
SMILESCc1ccc(-c2coc(NS(=O)(=O)CC(=O)O)n2)cc1
InChIInChI=1S/C12H12N2O5S/c1-8-2-4-9(5-3-8)10-6-19-12(13-10)14-20(17,18)7-11(15)16/h2-6H,7H2,1H3,(H,13,14)(H,15,16)
InChIKeyAONPUXZQVPYQPH-UHFFFAOYSA-N
MW296.30 g/mol
LogP1.48
Rot. Bonds5

About 2-[[4-(4-methylphenyl)-1,3-oxazol-2-yl]sulfamoyl]acetic acid

2-[[4-(4-methylphenyl)-1,3-oxazol-2-yl]sulfamoyl]acetic acid (PubChem CID 139222040) has the molecular formula C12H12N2O5S and a molecular weight of 296.30 g/mol. Its IUPAC name is 2-[[4-(4-methylphenyl)-1,3-oxazol-2-yl]sulfamoyl]acetic acid.

Molecular Properties

Compound Name2-[[4-(4-methylphenyl)-1,3-oxazol-2-yl]sulfamoyl]acetic acid
PubChem CID139222040
Molecular FormulaC12H12N2O5S
Molecular Weight296.30 g/mol
Exact Mass296.05
IUPAC Name2-[[4-(4-methylphenyl)-1,3-oxazol-2-yl]sulfamoyl]acetic acid
SMILESCc1ccc(-c2coc(NS(=O)(=O)CC(=O)O)n2)cc1
InChIInChI=1S/C12H12N2O5S/c1-8-2-4-9(5-3-8)10-6-19-12(13-10)14-20(17,18)7-11(15)16/h2-6H,7H2,1H3,(H,13,14)(H,15,16)
InChIKeyAONPUXZQVPYQPH-UHFFFAOYSA-N
XLogP1.48
TPSA109.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-methylphenyl)-1,3-oxazol-2-yl]sulfamoyl]acetic acid?
The IUPAC name of 2-[[4-(4-methylphenyl)-1,3-oxazol-2-yl]sulfamoyl]acetic acid (CID 139222040) is 2-[[4-(4-methylphenyl)-1,3-oxazol-2-yl]sulfamoyl]acetic acid.
What is the SMILES notation for 2-[[4-(4-methylphenyl)-1,3-oxazol-2-yl]sulfamoyl]acetic acid?
The canonical SMILES for 2-[[4-(4-methylphenyl)-1,3-oxazol-2-yl]sulfamoyl]acetic acid is Cc1ccc(-c2coc(NS(=O)(=O)CC(=O)O)n2)cc1.
What is the InChIKey of 2-[[4-(4-methylphenyl)-1,3-oxazol-2-yl]sulfamoyl]acetic acid?
The InChIKey is AONPUXZQVPYQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O5S/c1-8-2-4-9(5-3-8)10-6-19-12(13-10)14-20(17,18)7-11(15)16/h2-6H,7H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-[[4-(4-methylphenyl)-1,3-oxazol-2-yl]sulfamoyl]acetic acid?
2-[[4-(4-methylphenyl)-1,3-oxazol-2-yl]sulfamoyl]acetic acid has a molecular weight of 296.30 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-methylphenyl)-1,3-oxazol-2-yl]sulfamoyl]acetic acid is sourced from PubChem (CID 139222040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).