2-hydroxy-2-[[3-phenyl-4-(4-sulfamoylphenyl)-1,2-oxazol-5-yl]oxy]propanoic acid

C18H16N2O7S — CID 152771184

IUPAC2-hydroxy-2-[[3-phenyl-4-(4-sulfamoylphenyl)-1,2-oxazol-5-yl]oxy]propanoic acid
SMILESCC(O)(Oc1onc(-c2ccccc2)c1-c1ccc(S(N)(=O)=O)cc1)C(=O)O
InChIInChI=1S/C18H16N2O7S/c1-18(23,17(21)22)26-16-14(11-7-9-13(10-8-11)28(19,24)25)15(20-27-16)12-5-3-2-4-6-12/h2-10,23H,1H3,(H,21,22)(H2,19,24,25)
InChIKeyJSPCQLOCQGXTPA-UHFFFAOYSA-N
MW404.40 g/mol
LogP1.83
Rot. Bonds6

About 2-hydroxy-2-[[3-phenyl-4-(4-sulfamoylphenyl)-1,2-oxazol-5-yl]oxy]propanoic acid

2-hydroxy-2-[[3-phenyl-4-(4-sulfamoylphenyl)-1,2-oxazol-5-yl]oxy]propanoic acid (PubChem CID 152771184) has the molecular formula C18H16N2O7S and a molecular weight of 404.40 g/mol. Its IUPAC name is 2-hydroxy-2-[[3-phenyl-4-(4-sulfamoylphenyl)-1,2-oxazol-5-yl]oxy]propanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-[[3-phenyl-4-(4-sulfamoylphenyl)-1,2-oxazol-5-yl]oxy]propanoic acid
PubChem CID152771184
Molecular FormulaC18H16N2O7S
Molecular Weight404.40 g/mol
Exact Mass404.07
IUPAC Name2-hydroxy-2-[[3-phenyl-4-(4-sulfamoylphenyl)-1,2-oxazol-5-yl]oxy]propanoic acid
SMILESCC(O)(Oc1onc(-c2ccccc2)c1-c1ccc(S(N)(=O)=O)cc1)C(=O)O
InChIInChI=1S/C18H16N2O7S/c1-18(23,17(21)22)26-16-14(11-7-9-13(10-8-11)28(19,24)25)15(20-27-16)12-5-3-2-4-6-12/h2-10,23H,1H3,(H,21,22)(H2,19,24,25)
InChIKeyJSPCQLOCQGXTPA-UHFFFAOYSA-N
XLogP1.83
TPSA152.95 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.40
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-(5-(113C)methyl-3-phenyl-(513C,215N)1,2-oxazol-4-yl)benzenesulfonamide
CID 46783221
methane;4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide
CID 160931998
4-(5-(18F)fluoro-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide
CID 10171927
methyl 2-[[3-phenyl-4-(4-sulfamoylphenyl)-1,2-oxazol-5-yl]methylsulfanyl]acetate
CID 67594618
[3-phenyl-4-(4-sulfamoylphenyl)-1,2-oxazol-5-yl] 2-[4-(2-methylpropyl)phenyl]propanoate
CID 10278877
2-[[3-phenyl-4-(4-sulfamoylphenyl)-1,2-oxazol-5-yl]methoxy]acetic acid
CID 67695410
methyl 8-[3-phenyl-4-(4-sulfamoylphenyl)-1,2-oxazol-5-yl]octanoate
CID 163249478
(3,4-diphenyl-1,2-oxazol-5-yl) acetate
CID 57243538
3-hydroxy-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide;hydrate
CID 142774855
4-[2-(2-hydroxypropan-2-yl)-4-phenyl-1,3-oxazol-5-yl]benzenesulfonamide
CID 139808290
[3-(3,4-dichlorophenyl)-4-(4-sulfamoylphenyl)-1,2-oxazol-5-yl] propanoate
CID 67595103
methyl 4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonate
CID 91810729

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-[[3-phenyl-4-(4-sulfamoylphenyl)-1,2-oxazol-5-yl]oxy]propanoic acid?
The IUPAC name of 2-hydroxy-2-[[3-phenyl-4-(4-sulfamoylphenyl)-1,2-oxazol-5-yl]oxy]propanoic acid (CID 152771184) is 2-hydroxy-2-[[3-phenyl-4-(4-sulfamoylphenyl)-1,2-oxazol-5-yl]oxy]propanoic acid.
What is the SMILES notation for 2-hydroxy-2-[[3-phenyl-4-(4-sulfamoylphenyl)-1,2-oxazol-5-yl]oxy]propanoic acid?
The canonical SMILES for 2-hydroxy-2-[[3-phenyl-4-(4-sulfamoylphenyl)-1,2-oxazol-5-yl]oxy]propanoic acid is CC(O)(Oc1onc(-c2ccccc2)c1-c1ccc(S(N)(=O)=O)cc1)C(=O)O.
What is the InChIKey of 2-hydroxy-2-[[3-phenyl-4-(4-sulfamoylphenyl)-1,2-oxazol-5-yl]oxy]propanoic acid?
The InChIKey is JSPCQLOCQGXTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O7S/c1-18(23,17(21)22)26-16-14(11-7-9-13(10-8-11)28(19,24)25)15(20-27-16)12-5-3-2-4-6-12/h2-10,23H,1H3,(H,21,22)(H2,19,24,25).
What are the key properties of 2-hydroxy-2-[[3-phenyl-4-(4-sulfamoylphenyl)-1,2-oxazol-5-yl]oxy]propanoic acid?
2-hydroxy-2-[[3-phenyl-4-(4-sulfamoylphenyl)-1,2-oxazol-5-yl]oxy]propanoic acid has a molecular weight of 404.40 g/mol, XLogP of 1.83, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-[[3-phenyl-4-(4-sulfamoylphenyl)-1,2-oxazol-5-yl]oxy]propanoic acid is sourced from PubChem (CID 152771184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).