[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 2-(benzenesulfonamido)acetate

C13H13N3O6S — CID 16599847

IUPAC[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 2-(benzenesulfonamido)acetate
SMILESO=C(COC(=O)CNS(=O)(=O)c1ccccc1)Nc1ccon1
InChIInChI=1S/C13H13N3O6S/c17-12(15-11-6-7-22-16-11)9-21-13(18)8-14-23(19,20)10-4-2-1-3-5-10/h1-7,14H,8-9H2,(H,15,16,17)
InChIKeyTVWPLAYHCYGWRC-UHFFFAOYSA-N
MW339.33 g/mol
LogP0.13
Rot. Bonds7

About [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 2-(benzenesulfonamido)acetate

[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 2-(benzenesulfonamido)acetate (PubChem CID 16599847) has the molecular formula C13H13N3O6S and a molecular weight of 339.33 g/mol. Its IUPAC name is [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 2-(benzenesulfonamido)acetate.

Molecular Properties

Compound Name[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 2-(benzenesulfonamido)acetate
PubChem CID16599847
Molecular FormulaC13H13N3O6S
Molecular Weight339.33 g/mol
Exact Mass339.05
IUPAC Name[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 2-(benzenesulfonamido)acetate
SMILESO=C(COC(=O)CNS(=O)(=O)c1ccccc1)Nc1ccon1
InChIInChI=1S/C13H13N3O6S/c17-12(15-11-6-7-22-16-11)9-21-13(18)8-14-23(19,20)10-4-2-1-3-5-10/h1-7,14H,8-9H2,(H,15,16,17)
InChIKeyTVWPLAYHCYGWRC-UHFFFAOYSA-N
XLogP0.13
TPSA127.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.33
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate
CID 16599852
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(benzenesulfonamido)acetate
CID 3532838
[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 3-phenylbutanoate
CID 16592228
(2-anilino-2-oxoethyl) 2-[(4-acetamidophenyl)sulfonylamino]acetate
CID 7826786
[2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-(benzenesulfonamido)acetate
CID 2414517
(2-anilino-2-oxoethyl) 2-[(3,4-dimethoxyphenyl)sulfonylamino]acetate
CID 8664557
[2-(3-fluoroanilino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]acetate
CID 7954051
(2-anilino-2-oxoethyl) 2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetate
CID 7847645
[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
CID 16598734
[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]acetate
CID 7954284
[2-(2-methylanilino)-2-oxoethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate
CID 7961710
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(benzenesulfonamido)acetate
CID 8523115

Frequently Asked Questions

What is the IUPAC name of [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 2-(benzenesulfonamido)acetate?
The IUPAC name of [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 2-(benzenesulfonamido)acetate (CID 16599847) is [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 2-(benzenesulfonamido)acetate.
What is the SMILES notation for [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 2-(benzenesulfonamido)acetate?
The canonical SMILES for [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 2-(benzenesulfonamido)acetate is O=C(COC(=O)CNS(=O)(=O)c1ccccc1)Nc1ccon1.
What is the InChIKey of [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 2-(benzenesulfonamido)acetate?
The InChIKey is TVWPLAYHCYGWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O6S/c17-12(15-11-6-7-22-16-11)9-21-13(18)8-14-23(19,20)10-4-2-1-3-5-10/h1-7,14H,8-9H2,(H,15,16,17).
What are the key properties of [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 2-(benzenesulfonamido)acetate?
[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 2-(benzenesulfonamido)acetate has a molecular weight of 339.33 g/mol, XLogP of 0.13, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 2-(benzenesulfonamido)acetate is sourced from PubChem (CID 16599847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).