[3-phenyl-4-(4-sulfamoylphenyl)-1,2-oxazol-5-yl] 2-[4-(2-methylpropyl)phenyl]propanoate

C28H28N2O5S — CID 10278877

IUPAC[3-phenyl-4-(4-sulfamoylphenyl)-1,2-oxazol-5-yl] 2-[4-(2-methylpropyl)phenyl]propanoate
SMILESCC(C)Cc1ccc(C(C)C(=O)Oc2onc(-c3ccccc3)c2-c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C28H28N2O5S/c1-18(2)17-20-9-11-21(12-10-20)19(3)27(31)34-28-25(22-13-15-24(16-14-22)36(29,32)33)26(30-35-28)23-7-5-4-6-8-23/h4-16,18-19H,17H2,1-3H3,(H2,29,32,33)
InChIKeyZDASTQWYTBFZBU-UHFFFAOYSA-N
MW504.61 g/mol
LogP5.56
Rot. Bonds8

About [3-phenyl-4-(4-sulfamoylphenyl)-1,2-oxazol-5-yl] 2-[4-(2-methylpropyl)phenyl]propanoate

[3-phenyl-4-(4-sulfamoylphenyl)-1,2-oxazol-5-yl] 2-[4-(2-methylpropyl)phenyl]propanoate (PubChem CID 10278877) has the molecular formula C28H28N2O5S and a molecular weight of 504.61 g/mol. Its IUPAC name is [3-phenyl-4-(4-sulfamoylphenyl)-1,2-oxazol-5-yl] 2-[4-(2-methylpropyl)phenyl]propanoate.

Molecular Properties

Compound Name[3-phenyl-4-(4-sulfamoylphenyl)-1,2-oxazol-5-yl] 2-[4-(2-methylpropyl)phenyl]propanoate
PubChem CID10278877
Molecular FormulaC28H28N2O5S
Molecular Weight504.61 g/mol
Exact Mass504.17
IUPAC Name[3-phenyl-4-(4-sulfamoylphenyl)-1,2-oxazol-5-yl] 2-[4-(2-methylpropyl)phenyl]propanoate
SMILESCC(C)Cc1ccc(C(C)C(=O)Oc2onc(-c3ccccc3)c2-c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C28H28N2O5S/c1-18(2)17-20-9-11-21(12-10-20)19(3)27(31)34-28-25(22-13-15-24(16-14-22)36(29,32)33)26(30-35-28)23-7-5-4-6-8-23/h4-16,18-19H,17H2,1-3H3,(H2,29,32,33)
InChIKeyZDASTQWYTBFZBU-UHFFFAOYSA-N
XLogP5.56
TPSA112.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.61
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [3-phenyl-4-(4-sulfamoylphenyl)-1,2-oxazol-5-yl] 2-[4-(2-methylpropyl)phenyl]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-hydroxy-2-[[3-phenyl-4-(4-sulfamoylphenyl)-1,2-oxazol-5-yl]oxy]propanoic acid
CID 152771184
4-(5-(113C)methyl-3-phenyl-(513C,215N)1,2-oxazol-4-yl)benzenesulfonamide
CID 46783221
[3-(3,4-dichlorophenyl)-4-(4-sulfamoylphenyl)-1,2-oxazol-5-yl] propanoate
CID 67595103
methane;4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide
CID 160931998
4-[5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide
CID 25110130
(3,4-diphenyl-1,2-oxazol-5-yl) acetate
CID 57243538
methyl 8-[3-phenyl-4-(4-sulfamoylphenyl)-1,2-oxazol-5-yl]octanoate
CID 163249478
2-[[3-phenyl-4-(4-sulfamoylphenyl)-1,2-oxazol-5-yl]methoxy]acetic acid
CID 67695410
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
phenylselanyl 2-[4-(2-methylpropyl)phenyl]propanoate
CID 141462539
benzhydryl (2R)-2-[4-(2-methylpropyl)phenyl]propanoate
CID 166440077

Frequently Asked Questions

What is the IUPAC name of [3-phenyl-4-(4-sulfamoylphenyl)-1,2-oxazol-5-yl] 2-[4-(2-methylpropyl)phenyl]propanoate?
The IUPAC name of [3-phenyl-4-(4-sulfamoylphenyl)-1,2-oxazol-5-yl] 2-[4-(2-methylpropyl)phenyl]propanoate (CID 10278877) is [3-phenyl-4-(4-sulfamoylphenyl)-1,2-oxazol-5-yl] 2-[4-(2-methylpropyl)phenyl]propanoate.
What is the SMILES notation for [3-phenyl-4-(4-sulfamoylphenyl)-1,2-oxazol-5-yl] 2-[4-(2-methylpropyl)phenyl]propanoate?
The canonical SMILES for [3-phenyl-4-(4-sulfamoylphenyl)-1,2-oxazol-5-yl] 2-[4-(2-methylpropyl)phenyl]propanoate is CC(C)Cc1ccc(C(C)C(=O)Oc2onc(-c3ccccc3)c2-c2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of [3-phenyl-4-(4-sulfamoylphenyl)-1,2-oxazol-5-yl] 2-[4-(2-methylpropyl)phenyl]propanoate?
The InChIKey is ZDASTQWYTBFZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O5S/c1-18(2)17-20-9-11-21(12-10-20)19(3)27(31)34-28-25(22-13-15-24(16-14-22)36(29,32)33)26(30-35-28)23-7-5-4-6-8-23/h4-16,18-19H,17H2,1-3H3,(H2,29,32,33).
What are the key properties of [3-phenyl-4-(4-sulfamoylphenyl)-1,2-oxazol-5-yl] 2-[4-(2-methylpropyl)phenyl]propanoate?
[3-phenyl-4-(4-sulfamoylphenyl)-1,2-oxazol-5-yl] 2-[4-(2-methylpropyl)phenyl]propanoate has a molecular weight of 504.61 g/mol, XLogP of 5.56, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-phenyl-4-(4-sulfamoylphenyl)-1,2-oxazol-5-yl] 2-[4-(2-methylpropyl)phenyl]propanoate is sourced from PubChem (CID 10278877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).