ethyl 4-[(3-tert-butyl-1,2-oxazol-5-yl)sulfamoyl]benzoate

C16H20N2O5S — CID 2121635

IUPACethyl 4-[(3-tert-butyl-1,2-oxazol-5-yl)sulfamoyl]benzoate
SMILESCCOC(=O)c1ccc(S(=O)(=O)Nc2cc(C(C)(C)C)no2)cc1
InChIInChI=1S/C16H20N2O5S/c1-5-22-15(19)11-6-8-12(9-7-11)24(20,21)18-14-10-13(17-23-14)16(2,3)4/h6-10,18H,5H2,1-4H3
InChIKeyYXRRWACWBWWSJL-UHFFFAOYSA-N
MW352.41 g/mol
LogP2.95
Rot. Bonds5

About ethyl 4-[(3-tert-butyl-1,2-oxazol-5-yl)sulfamoyl]benzoate

ethyl 4-[(3-tert-butyl-1,2-oxazol-5-yl)sulfamoyl]benzoate (PubChem CID 2121635) has the molecular formula C16H20N2O5S and a molecular weight of 352.41 g/mol. Its IUPAC name is ethyl 4-[(3-tert-butyl-1,2-oxazol-5-yl)sulfamoyl]benzoate.

Molecular Properties

Compound Nameethyl 4-[(3-tert-butyl-1,2-oxazol-5-yl)sulfamoyl]benzoate
PubChem CID2121635
Molecular FormulaC16H20N2O5S
Molecular Weight352.41 g/mol
Exact Mass352.11
IUPAC Nameethyl 4-[(3-tert-butyl-1,2-oxazol-5-yl)sulfamoyl]benzoate
SMILESCCOC(=O)c1ccc(S(=O)(=O)Nc2cc(C(C)(C)C)no2)cc1
InChIInChI=1S/C16H20N2O5S/c1-5-22-15(19)11-6-8-12(9-7-11)24(20,21)18-14-10-13(17-23-14)16(2,3)4/h6-10,18H,5H2,1-4H3
InChIKeyYXRRWACWBWWSJL-UHFFFAOYSA-N
XLogP2.95
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 4-acetamidobenzoate
CID 7603982
ethyl 4-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzoate
CID 169371543
[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 4-nitrobenzoate
CID 7603828
ethyl 4-(hydrazinesulfonyl)benzoate
CID 19755145
ethyl 2-[(4-tert-butylphenyl)sulfonylamino]-1,3-oxazole-4-carboxylate
CID 84563734
ethyl 4-[(4-iodophenyl)sulfamoyl]benzoate
CID 26967680
ethyl 4-[(1-amino-2-methylpropan-2-yl)sulfamoyl]benzoate;hydrochloride
CID 119975673
ethyl 4-[(4-fluorophenyl)sulfonylamino]benzoate
CID 796321
ethyl 4-(3-methylbutan-2-ylsulfamoyl)benzoate
CID 51169036
ethyl 4-(1,3-benzodioxol-5-ylsulfamoyl)benzoate
CID 2106204
[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 4-(ethylsulfamoyl)benzoate
CID 16601355
ethyl 4-[[(2-methylpropan-2-yl)oxycarbonylamino]sulfamoyl]benzoate
CID 8500965

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(3-tert-butyl-1,2-oxazol-5-yl)sulfamoyl]benzoate?
The IUPAC name of ethyl 4-[(3-tert-butyl-1,2-oxazol-5-yl)sulfamoyl]benzoate (CID 2121635) is ethyl 4-[(3-tert-butyl-1,2-oxazol-5-yl)sulfamoyl]benzoate.
What is the SMILES notation for ethyl 4-[(3-tert-butyl-1,2-oxazol-5-yl)sulfamoyl]benzoate?
The canonical SMILES for ethyl 4-[(3-tert-butyl-1,2-oxazol-5-yl)sulfamoyl]benzoate is CCOC(=O)c1ccc(S(=O)(=O)Nc2cc(C(C)(C)C)no2)cc1.
What is the InChIKey of ethyl 4-[(3-tert-butyl-1,2-oxazol-5-yl)sulfamoyl]benzoate?
The InChIKey is YXRRWACWBWWSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5S/c1-5-22-15(19)11-6-8-12(9-7-11)24(20,21)18-14-10-13(17-23-14)16(2,3)4/h6-10,18H,5H2,1-4H3.
What are the key properties of ethyl 4-[(3-tert-butyl-1,2-oxazol-5-yl)sulfamoyl]benzoate?
ethyl 4-[(3-tert-butyl-1,2-oxazol-5-yl)sulfamoyl]benzoate has a molecular weight of 352.41 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(3-tert-butyl-1,2-oxazol-5-yl)sulfamoyl]benzoate is sourced from PubChem (CID 2121635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).