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

C17H19N3O7S — CID 2083276

IUPAC[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate
SMILESCc1cc(NC(=O)COC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)no1
InChIInChI=1S/C17H19N3O7S/c1-12-9-15(19-27-12)18-16(21)11-26-17(22)13-3-2-4-14(10-13)28(23,24)20-5-7-25-8-6-20/h2-4,9-10H,5-8,11H2,1H3,(H,18,19,21)
InChIKeyXGMLMMKPNFFHJG-UHFFFAOYSA-N
MW409.42 g/mol
LogP0.80
Rot. Bonds6

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

[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate (PubChem CID 2083276) has the molecular formula C17H19N3O7S and a molecular weight of 409.42 g/mol. Its IUPAC name is [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate.

Molecular Properties

Compound Name[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate
PubChem CID2083276
Molecular FormulaC17H19N3O7S
Molecular Weight409.42 g/mol
Exact Mass409.09
IUPAC Name[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate
SMILESCc1cc(NC(=O)COC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)no1
InChIInChI=1S/C17H19N3O7S/c1-12-9-15(19-27-12)18-16(21)11-26-17(22)13-3-2-4-14(10-13)28(23,24)20-5-7-25-8-6-20/h2-4,9-10H,5-8,11H2,1H3,(H,18,19,21)
InChIKeyXGMLMMKPNFFHJG-UHFFFAOYSA-N
XLogP0.80
TPSA128.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.42
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate 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 [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate?
The IUPAC name of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate (CID 2083276) is [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate.
What is the SMILES notation for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate?
The canonical SMILES for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate is Cc1cc(NC(=O)COC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)no1.
What is the InChIKey of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate?
The InChIKey is XGMLMMKPNFFHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O7S/c1-12-9-15(19-27-12)18-16(21)11-26-17(22)13-3-2-4-14(10-13)28(23,24)20-5-7-25-8-6-20/h2-4,9-10H,5-8,11H2,1H3,(H,18,19,21).
What are the key properties of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate?
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate has a molecular weight of 409.42 g/mol, XLogP of 0.80, 6 rotatable bonds, 1 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-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate is sourced from PubChem (CID 2083276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).