ethyl 2-[4-(4-fluorophenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]-3-phenylpropanoate

C26H23FN2O5S — CID 19698584

IUPACethyl 2-[4-(4-fluorophenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]-3-phenylpropanoate
SMILESCCOC(=O)C(Cc1ccccc1)c1nc(-c2ccc(F)cc2)c(-c2ccc(S(N)(=O)=O)cc2)o1
InChIInChI=1S/C26H23FN2O5S/c1-2-33-26(30)22(16-17-6-4-3-5-7-17)25-29-23(18-8-12-20(27)13-9-18)24(34-25)19-10-14-21(15-11-19)35(28,31)32/h3-15,22H,2,16H2,1H3,(H2,28,31,32)
InChIKeyKJFLHXUPDIUYTC-UHFFFAOYSA-N
MW494.54 g/mol
LogP4.68
Rot. Bonds8

About ethyl 2-[4-(4-fluorophenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]-3-phenylpropanoate

ethyl 2-[4-(4-fluorophenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]-3-phenylpropanoate (PubChem CID 19698584) has the molecular formula C26H23FN2O5S and a molecular weight of 494.54 g/mol. Its IUPAC name is ethyl 2-[4-(4-fluorophenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]-3-phenylpropanoate.

Molecular Properties

Compound Nameethyl 2-[4-(4-fluorophenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]-3-phenylpropanoate
PubChem CID19698584
Molecular FormulaC26H23FN2O5S
Molecular Weight494.54 g/mol
Exact Mass494.13
IUPAC Nameethyl 2-[4-(4-fluorophenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]-3-phenylpropanoate
SMILESCCOC(=O)C(Cc1ccccc1)c1nc(-c2ccc(F)cc2)c(-c2ccc(S(N)(=O)=O)cc2)o1
InChIInChI=1S/C26H23FN2O5S/c1-2-33-26(30)22(16-17-6-4-3-5-7-17)25-29-23(18-8-12-20(27)13-9-18)24(34-25)19-10-14-21(15-11-19)35(28,31)32/h3-15,22H,2,16H2,1H3,(H2,28,31,32)
InChIKeyKJFLHXUPDIUYTC-UHFFFAOYSA-N
XLogP4.68
TPSA112.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.54
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[4-(4-fluorophenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]-3-phenylpropanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(4-fluorophenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]-3-phenylpropanoate?
The IUPAC name of ethyl 2-[4-(4-fluorophenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]-3-phenylpropanoate (CID 19698584) is ethyl 2-[4-(4-fluorophenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]-3-phenylpropanoate.
What is the SMILES notation for ethyl 2-[4-(4-fluorophenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]-3-phenylpropanoate?
The canonical SMILES for ethyl 2-[4-(4-fluorophenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]-3-phenylpropanoate is CCOC(=O)C(Cc1ccccc1)c1nc(-c2ccc(F)cc2)c(-c2ccc(S(N)(=O)=O)cc2)o1.
What is the InChIKey of ethyl 2-[4-(4-fluorophenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]-3-phenylpropanoate?
The InChIKey is KJFLHXUPDIUYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN2O5S/c1-2-33-26(30)22(16-17-6-4-3-5-7-17)25-29-23(18-8-12-20(27)13-9-18)24(34-25)19-10-14-21(15-11-19)35(28,31)32/h3-15,22H,2,16H2,1H3,(H2,28,31,32).
What are the key properties of ethyl 2-[4-(4-fluorophenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]-3-phenylpropanoate?
ethyl 2-[4-(4-fluorophenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]-3-phenylpropanoate has a molecular weight of 494.54 g/mol, XLogP of 4.68, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(4-fluorophenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]-3-phenylpropanoate is sourced from PubChem (CID 19698584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).