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

C12H12N2O5S — CID 43440462

IUPAC2-[4-[(3-methyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]acetic acid
SMILESCc1cc(NS(=O)(=O)c2ccc(CC(=O)O)cc2)on1
InChIInChI=1S/C12H12N2O5S/c1-8-6-11(19-13-8)14-20(17,18)10-4-2-9(3-5-10)7-12(15)16/h2-6,14H,7H2,1H3,(H,15,16)
InChIKeyNGOAIRIEFTZOAW-UHFFFAOYSA-N
MW296.30 g/mol
LogP1.41
Rot. Bonds5

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

2-[4-[(3-methyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]acetic acid (PubChem CID 43440462) has the molecular formula C12H12N2O5S and a molecular weight of 296.30 g/mol. Its IUPAC name is 2-[4-[(3-methyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(3-methyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]acetic acid
PubChem CID43440462
Molecular FormulaC12H12N2O5S
Molecular Weight296.30 g/mol
Exact Mass296.05
IUPAC Name2-[4-[(3-methyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]acetic acid
SMILESCc1cc(NS(=O)(=O)c2ccc(CC(=O)O)cc2)on1
InChIInChI=1S/C12H12N2O5S/c1-8-6-11(19-13-8)14-20(17,18)10-4-2-9(3-5-10)7-12(15)16/h2-6,14H,7H2,1H3,(H,15,16)
InChIKeyNGOAIRIEFTZOAW-UHFFFAOYSA-N
XLogP1.41
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 ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(ethylaminomethyl)-N-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 60822205
N-(3-methyl-1,2-oxazol-5-yl)-4-(propylamino)benzenesulfonamide
CID 62163004
2-[4-[(1,5-dimethylpyrazol-3-yl)sulfamoyl]phenyl]acetic acid
CID 91645949
N-(3-methyl-1,2-oxazol-5-yl)-6-oxo-1H-pyridine-3-sulfonamide
CID 43629066
N-(3-methyl-1,2-oxazol-5-yl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421727
2-chloro-3-fluoro-5-[(3-methyl-1,2-oxazol-5-yl)sulfamoyl]benzoic acid
CID 81451707
2-[4-[(4-hydroxyphenyl)sulfamoyl]phenyl]acetic acid
CID 43714781
3-(3-hydroxyprop-1-ynyl)-N-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 60824132
2-[4-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]phenyl]acetic acid
CID 61043593
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetic acid
CID 672063
N-(3-methyl-1,2-oxazol-5-yl)-4-[4-[2-(trifluoromethyl)phenyl]phenyl]benzenesulfonamide
CID 91357092
2-[4-[(3-hydroxyphenyl)sulfamoyl]phenyl]acetic acid
CID 61167886

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-methyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[(3-methyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]acetic acid (CID 43440462) is 2-[4-[(3-methyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[(3-methyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[(3-methyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]acetic acid is Cc1cc(NS(=O)(=O)c2ccc(CC(=O)O)cc2)on1.
What is the InChIKey of 2-[4-[(3-methyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]acetic acid?
The InChIKey is NGOAIRIEFTZOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O5S/c1-8-6-11(19-13-8)14-20(17,18)10-4-2-9(3-5-10)7-12(15)16/h2-6,14H,7H2,1H3,(H,15,16).
What are the key properties of 2-[4-[(3-methyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]acetic acid?
2-[4-[(3-methyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]acetic acid has a molecular weight of 296.30 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-methyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]acetic acid is sourced from PubChem (CID 43440462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).