ethyl 2-[4-(4-chlorophenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetate

C19H17ClN2O5S — CID 11949253

IUPACethyl 2-[4-(4-chlorophenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetate
SMILESCCOC(=O)Cc1nc(-c2ccc(Cl)cc2)c(-c2ccc(S(N)(=O)=O)cc2)o1
InChIInChI=1S/C19H17ClN2O5S/c1-2-26-17(23)11-16-22-18(12-3-7-14(20)8-4-12)19(27-16)13-5-9-15(10-6-13)28(21,24)25/h3-10H,2,11H2,1H3,(H2,21,24,25)
InChIKeyDGGJMXMJWYGNNY-UHFFFAOYSA-N
MW420.87 g/mol
LogP3.41
Rot. Bonds6

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

ethyl 2-[4-(4-chlorophenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetate (PubChem CID 11949253) has the molecular formula C19H17ClN2O5S and a molecular weight of 420.87 g/mol. Its IUPAC name is ethyl 2-[4-(4-chlorophenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(4-chlorophenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetate
PubChem CID11949253
Molecular FormulaC19H17ClN2O5S
Molecular Weight420.87 g/mol
Exact Mass420.05
IUPAC Nameethyl 2-[4-(4-chlorophenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetate
SMILESCCOC(=O)Cc1nc(-c2ccc(Cl)cc2)c(-c2ccc(S(N)(=O)=O)cc2)o1
InChIInChI=1S/C19H17ClN2O5S/c1-2-26-17(23)11-16-22-18(12-3-7-14(20)8-4-12)19(27-16)13-5-9-15(10-6-13)28(21,24)25/h3-10H,2,11H2,1H3,(H2,21,24,25)
InChIKeyDGGJMXMJWYGNNY-UHFFFAOYSA-N
XLogP3.41
TPSA112.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.87
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[4-(4-chlorophenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetate 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-[4-(4-chlorophenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetic acid
CID 11949254
methyl 2-[5-(3-chloro-4-fluorophenyl)-4-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetate
CID 11947914
ethyl 2-[4,5-bis(4-aminophenyl)-1,3-oxazol-2-yl]acetate
CID 58533133
ethyl 2-(4,5-diphenyl-1,3-oxazol-2-yl)acetate
CID 14971801
4-[2-benzyl-4-(4-chlorophenyl)-1,3-oxazol-5-yl]benzenesulfonamide
CID 18701480
2-[4-(4-chlorophenyl)-5-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylacetamide
CID 22505648
N-hydroxy-2-[4-(4-methoxyphenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetamide
CID 22505629
2-[4-(3-chloro-4-methoxyphenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylacetamide
CID 22505117
[4-(4-chlorophenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]methyl N-hydroxy-N-methylcarbamodithioate
CID 22505336
ethyl 6-[5-(4-chlorophenyl)-4-phenyl-1,3-oxazol-2-yl]hexanoate
CID 69007578
2-[4-(4-fluorophenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]-N-hydroxyacetamide
CID 22505621
methyl 3-[4-phenyl-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]propanoate
CID 11948196

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(4-chlorophenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetate?
The IUPAC name of ethyl 2-[4-(4-chlorophenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetate (CID 11949253) is ethyl 2-[4-(4-chlorophenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetate.
What is the SMILES notation for ethyl 2-[4-(4-chlorophenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetate?
The canonical SMILES for ethyl 2-[4-(4-chlorophenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetate is CCOC(=O)Cc1nc(-c2ccc(Cl)cc2)c(-c2ccc(S(N)(=O)=O)cc2)o1.
What is the InChIKey of ethyl 2-[4-(4-chlorophenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetate?
The InChIKey is DGGJMXMJWYGNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O5S/c1-2-26-17(23)11-16-22-18(12-3-7-14(20)8-4-12)19(27-16)13-5-9-15(10-6-13)28(21,24)25/h3-10H,2,11H2,1H3,(H2,21,24,25).
What are the key properties of ethyl 2-[4-(4-chlorophenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetate?
ethyl 2-[4-(4-chlorophenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetate has a molecular weight of 420.87 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(4-chlorophenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetate is sourced from PubChem (CID 11949253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).