[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 4-methoxy-3-sulfamoylbenzoate

C20H19N3O7S — CID 24527471

IUPAC[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 4-methoxy-3-sulfamoylbenzoate
SMILESCOc1ccc(C(=O)OC(C(=O)Nc2cc(C)on2)c2ccccc2)cc1S(N)(=O)=O
InChIInChI=1S/C20H19N3O7S/c1-12-10-17(23-30-12)22-19(24)18(13-6-4-3-5-7-13)29-20(25)14-8-9-15(28-2)16(11-14)31(21,26)27/h3-11,18H,1-2H3,(H2,21,26,27)(H,22,23,24)
InChIKeyXFJHJGACNZNRAD-UHFFFAOYSA-N
MW445.45 g/mol
LogP2.18
Rot. Bonds7

About [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 4-methoxy-3-sulfamoylbenzoate

[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 4-methoxy-3-sulfamoylbenzoate (PubChem CID 24527471) has the molecular formula C20H19N3O7S and a molecular weight of 445.45 g/mol. Its IUPAC name is [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 4-methoxy-3-sulfamoylbenzoate.

Molecular Properties

Compound Name[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 4-methoxy-3-sulfamoylbenzoate
PubChem CID24527471
Molecular FormulaC20H19N3O7S
Molecular Weight445.45 g/mol
Exact Mass445.09
IUPAC Name[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 4-methoxy-3-sulfamoylbenzoate
SMILESCOc1ccc(C(=O)OC(C(=O)Nc2cc(C)on2)c2ccccc2)cc1S(N)(=O)=O
InChIInChI=1S/C20H19N3O7S/c1-12-10-17(23-30-12)22-19(24)18(13-6-4-3-5-7-13)29-20(25)14-8-9-15(28-2)16(11-14)31(21,26)27/h3-11,18H,1-2H3,(H2,21,26,27)(H,22,23,24)
InChIKeyXFJHJGACNZNRAD-UHFFFAOYSA-N
XLogP2.18
TPSA150.82 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.45
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 4-methoxy-3-sulfamoylbenzoate 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-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3,5-dimethoxy-4-methylbenzoate
CID 46645148
[2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 4-methoxy-3-sulfamoylbenzoate
CID 42983370
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 4-fluorobenzoate
CID 17415012
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 4-iodobenzoate
CID 46644590
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 5-chloro-2-methoxybenzoate
CID 24527048
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 6-methylpyridine-3-carboxylate
CID 18151710
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3,5-difluorobenzoate
CID 46644893
(2R)-2-(2-methoxy-4-methylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 40882138
[(1S)-2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 5-methylfuran-2-carboxylate
CID 40798708
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 5-methylfuran-2-carboxylate
CID 17437026
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate
CID 42922287
[(1S)-2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] (2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate
CID 26969472

Frequently Asked Questions

What is the IUPAC name of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 4-methoxy-3-sulfamoylbenzoate?
The IUPAC name of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 4-methoxy-3-sulfamoylbenzoate (CID 24527471) is [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 4-methoxy-3-sulfamoylbenzoate.
What is the SMILES notation for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 4-methoxy-3-sulfamoylbenzoate?
The canonical SMILES for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 4-methoxy-3-sulfamoylbenzoate is COc1ccc(C(=O)OC(C(=O)Nc2cc(C)on2)c2ccccc2)cc1S(N)(=O)=O.
What is the InChIKey of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 4-methoxy-3-sulfamoylbenzoate?
The InChIKey is XFJHJGACNZNRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O7S/c1-12-10-17(23-30-12)22-19(24)18(13-6-4-3-5-7-13)29-20(25)14-8-9-15(28-2)16(11-14)31(21,26)27/h3-11,18H,1-2H3,(H2,21,26,27)(H,22,23,24).
What are the key properties of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 4-methoxy-3-sulfamoylbenzoate?
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 4-methoxy-3-sulfamoylbenzoate has a molecular weight of 445.45 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 4-methoxy-3-sulfamoylbenzoate is sourced from PubChem (CID 24527471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).