[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 4-(ethylsulfamoyl)benzoate

C15H17N3O6S — CID 16601355

IUPAC[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 4-(ethylsulfamoyl)benzoate
SMILESCCNS(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2cc(C)no2)cc1
InChIInChI=1S/C15H17N3O6S/c1-3-16-25(21,22)12-6-4-11(5-7-12)15(20)23-9-13(19)17-14-8-10(2)18-24-14/h4-8,16H,3,9H2,1-2H3,(H,17,19)
InChIKeyFSBNMXYVEMHTTK-UHFFFAOYSA-N
MW367.38 g/mol
LogP1.08
Rot. Bonds7

About [2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 4-(ethylsulfamoyl)benzoate

[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 4-(ethylsulfamoyl)benzoate (PubChem CID 16601355) has the molecular formula C15H17N3O6S and a molecular weight of 367.38 g/mol. Its IUPAC name is [2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 4-(ethylsulfamoyl)benzoate.

Molecular Properties

Compound Name[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 4-(ethylsulfamoyl)benzoate
PubChem CID16601355
Molecular FormulaC15H17N3O6S
Molecular Weight367.38 g/mol
Exact Mass367.08
IUPAC Name[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 4-(ethylsulfamoyl)benzoate
SMILESCCNS(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2cc(C)no2)cc1
InChIInChI=1S/C15H17N3O6S/c1-3-16-25(21,22)12-6-4-11(5-7-12)15(20)23-9-13(19)17-14-8-10(2)18-24-14/h4-8,16H,3,9H2,1-2H3,(H,17,19)
InChIKeyFSBNMXYVEMHTTK-UHFFFAOYSA-N
XLogP1.08
TPSA127.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] naphthalene-2-carboxylate
CID 18128877
[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 4-(ethylsulfamoyl)benzoate
CID 40571060
[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 4-chloro-3-(methylsulfamoyl)benzoate
CID 16600981
[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate
CID 16598073
[2-(4-fluoroanilino)-2-oxoethyl] 4-(ethylsulfamoyl)benzoate
CID 7828175
[2-(3,4-difluoroanilino)-2-oxoethyl] 4-(ethylsulfamoyl)benzoate
CID 7429496
(2-amino-2-oxoethyl) 4-(ethylsulfamoyl)benzoate
CID 7828149
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 4-[[(2R)-butan-2-yl]sulfamoyl]benzoate
CID 7828201
[2-(2,4-difluoroanilino)-2-oxoethyl] 4-(ethylsulfamoyl)benzoate
CID 7828167
[2-oxo-2-(1-phenylethylamino)ethyl] 4-(ethylsulfamoyl)benzoate
CID 18085655
[2-(3-methylsulfanylanilino)-2-oxoethyl] 4-(ethylsulfamoyl)benzoate
CID 7429620
[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 4-methoxy-3-nitrobenzoate
CID 16961857

Frequently Asked Questions

What is the IUPAC name of [2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 4-(ethylsulfamoyl)benzoate?
The IUPAC name of [2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 4-(ethylsulfamoyl)benzoate (CID 16601355) is [2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 4-(ethylsulfamoyl)benzoate.
What is the SMILES notation for [2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 4-(ethylsulfamoyl)benzoate?
The canonical SMILES for [2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 4-(ethylsulfamoyl)benzoate is CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2cc(C)no2)cc1.
What is the InChIKey of [2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 4-(ethylsulfamoyl)benzoate?
The InChIKey is FSBNMXYVEMHTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O6S/c1-3-16-25(21,22)12-6-4-11(5-7-12)15(20)23-9-13(19)17-14-8-10(2)18-24-14/h4-8,16H,3,9H2,1-2H3,(H,17,19).
What are the key properties of [2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 4-(ethylsulfamoyl)benzoate?
[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 4-(ethylsulfamoyl)benzoate has a molecular weight of 367.38 g/mol, XLogP of 1.08, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 4-(ethylsulfamoyl)benzoate is sourced from PubChem (CID 16601355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).