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

C12H11N3O5S — CID 16598721

IUPAC[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
SMILESO=C(COC(=O)CNC(=O)c1cccs1)Nc1ccon1
InChIInChI=1S/C12H11N3O5S/c16-10(14-9-3-4-20-15-9)7-19-11(17)6-13-12(18)8-2-1-5-21-8/h1-5H,6-7H2,(H,13,18)(H,14,15,16)
InChIKeyGKWVRIWTRVUQMD-UHFFFAOYSA-N
MW309.30 g/mol
LogP0.65
Rot. Bonds6

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

[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate (PubChem CID 16598721) has the molecular formula C12H11N3O5S and a molecular weight of 309.30 g/mol. Its IUPAC name is [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate.

Molecular Properties

Compound Name[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
PubChem CID16598721
Molecular FormulaC12H11N3O5S
Molecular Weight309.30 g/mol
Exact Mass309.04
IUPAC Name[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
SMILESO=C(COC(=O)CNC(=O)c1cccs1)Nc1ccon1
InChIInChI=1S/C12H11N3O5S/c16-10(14-9-3-4-20-15-9)7-19-11(17)6-13-12(18)8-2-1-5-21-8/h1-5H,6-7H2,(H,13,18)(H,14,15,16)
InChIKeyGKWVRIWTRVUQMD-UHFFFAOYSA-N
XLogP0.65
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.30
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
CID 16598734
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(thiophene-2-carbonylamino)acetate
CID 2478990
[2-(3,4-difluoroanilino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
CID 7808095
[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
CID 7519386
[2-(2-acetylhydrazinyl)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
CID 8662200
[2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
CID 7807897
[2-(3-methylbutylamino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
CID 7807951
[2-(4-ethoxyanilino)-2-oxoethyl] 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate
CID 9066239
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
CID 7808026
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate
CID 2082274
[2-(5-bromothiophen-2-yl)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
CID 8662439
[2-(4-acetamidophenyl)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
CID 8662292

Frequently Asked Questions

What is the IUPAC name of [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate?
The IUPAC name of [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate (CID 16598721) is [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate.
What is the SMILES notation for [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate?
The canonical SMILES for [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate is O=C(COC(=O)CNC(=O)c1cccs1)Nc1ccon1.
What is the InChIKey of [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate?
The InChIKey is GKWVRIWTRVUQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O5S/c16-10(14-9-3-4-20-15-9)7-19-11(17)6-13-12(18)8-2-1-5-21-8/h1-5H,6-7H2,(H,13,18)(H,14,15,16).
What are the key properties of [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate?
[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate has a molecular weight of 309.30 g/mol, XLogP of 0.65, 6 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-(thiophene-2-carbonylamino)acetate is sourced from PubChem (CID 16598721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).