[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-(2,5-dichlorophenyl)sulfonylpropanoate

C15H14Cl2N2O6S — CID 3164228

IUPAC[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-(2,5-dichlorophenyl)sulfonylpropanoate
SMILESCc1cc(NC(=O)COC(=O)CCS(=O)(=O)c2cc(Cl)ccc2Cl)no1
InChIInChI=1S/C15H14Cl2N2O6S/c1-9-6-13(19-25-9)18-14(20)8-24-15(21)4-5-26(22,23)12-7-10(16)2-3-11(12)17/h2-3,6-7H,4-5,8H2,1H3,(H,18,19,20)
InChIKeyWYHPLFUEJULRMO-UHFFFAOYSA-N
MW421.26 g/mol
LogP2.64
Rot. Bonds7

About [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-(2,5-dichlorophenyl)sulfonylpropanoate

[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-(2,5-dichlorophenyl)sulfonylpropanoate (PubChem CID 3164228) has the molecular formula C15H14Cl2N2O6S and a molecular weight of 421.26 g/mol. Its IUPAC name is [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-(2,5-dichlorophenyl)sulfonylpropanoate.

Molecular Properties

Compound Name[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-(2,5-dichlorophenyl)sulfonylpropanoate
PubChem CID3164228
Molecular FormulaC15H14Cl2N2O6S
Molecular Weight421.26 g/mol
Exact Mass419.99
IUPAC Name[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-(2,5-dichlorophenyl)sulfonylpropanoate
SMILESCc1cc(NC(=O)COC(=O)CCS(=O)(=O)c2cc(Cl)ccc2Cl)no1
InChIInChI=1S/C15H14Cl2N2O6S/c1-9-6-13(19-25-9)18-14(20)8-24-15(21)4-5-26(22,23)12-7-10(16)2-3-11(12)17/h2-3,6-7H,4-5,8H2,1H3,(H,18,19,20)
InChIKeyWYHPLFUEJULRMO-UHFFFAOYSA-N
XLogP2.64
TPSA115.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.26
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-(2,5-dichlorophenyl)sulfonylpropanoate with MolForge

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Related Compounds

[2-[(5-Methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-[(2,6-dichlorophenyl)sulfonylamino]propanoate
CID 2497192
2-((4-chlorophenyl)sulfonyl)-N-(5-methylisoxazol-3-yl)acetamide
CID 7254252
2-(4-chlorophenylsulfonyl)-2-methyl-N-(5-methylisoxazol-3-yl)propanamide
CID 44569589
3-(4-Chloro-benzenesulfonyl)-propionic acid (5-methyl-isoxazol-3-ylcarbamoyl)-methyl ester
CID 3164231
[2-[(5-Methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-(4-methylphenyl)sulfonylpropanoate
CID 2126008
[2-[(5-Methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-phenylsulfanylacetate
CID 2616505
3-((4-chlorophenyl)sulfonyl)-N-(5-methylisoxazol-3-yl)propanamide
CID 7254320
[2-[(5-Methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate
CID 7355016
[2-[(5-Methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-(4-fluorophenyl)sulfonylpropanoate
CID 7623974
[2-[(5-Methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate
CID 7972367
[2-[(5-Methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(2,5-difluorophenyl)sulfanylacetate
CID 8214480
[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 3-(4-fluorophenyl)sulfanylpropanoate
CID 8291900

Frequently Asked Questions

What is the IUPAC name of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-(2,5-dichlorophenyl)sulfonylpropanoate?
The IUPAC name of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-(2,5-dichlorophenyl)sulfonylpropanoate (CID 3164228) is [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-(2,5-dichlorophenyl)sulfonylpropanoate.
What is the SMILES notation for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-(2,5-dichlorophenyl)sulfonylpropanoate?
The canonical SMILES for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-(2,5-dichlorophenyl)sulfonylpropanoate is Cc1cc(NC(=O)COC(=O)CCS(=O)(=O)c2cc(Cl)ccc2Cl)no1.
What is the InChIKey of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-(2,5-dichlorophenyl)sulfonylpropanoate?
The InChIKey is WYHPLFUEJULRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O6S/c1-9-6-13(19-25-9)18-14(20)8-24-15(21)4-5-26(22,23)12-7-10(16)2-3-11(12)17/h2-3,6-7H,4-5,8H2,1H3,(H,18,19,20).
What are the key properties of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-(2,5-dichlorophenyl)sulfonylpropanoate?
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-(2,5-dichlorophenyl)sulfonylpropanoate has a molecular weight of 421.26 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-(2,5-dichlorophenyl)sulfonylpropanoate is sourced from PubChem (CID 3164228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).