[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-[(2,6-dichlorophenyl)sulfonylamino]propanoate

C15H15Cl2N3O6S — CID 2497192

IUPAC[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-[(2,6-dichlorophenyl)sulfonylamino]propanoate
SMILESCc1cc(NC(=O)COC(=O)CCNS(=O)(=O)c2c(Cl)cccc2Cl)no1
InChIInChI=1S/C15H15Cl2N3O6S/c1-9-7-12(20-26-9)19-13(21)8-25-14(22)5-6-18-27(23,24)15-10(16)3-2-4-11(15)17/h2-4,7,18H,5-6,8H2,1H3,(H,19,20,21)
InChIKeyOFMYJGOFCYHERX-UHFFFAOYSA-N
MW436.27 g/mol
LogP2.14
Rot. Bonds8

About [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-[(2,6-dichlorophenyl)sulfonylamino]propanoate

[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-[(2,6-dichlorophenyl)sulfonylamino]propanoate (PubChem CID 2497192) has the molecular formula C15H15Cl2N3O6S and a molecular weight of 436.27 g/mol. Its IUPAC name is [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-[(2,6-dichlorophenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Name[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-[(2,6-dichlorophenyl)sulfonylamino]propanoate
PubChem CID2497192
Molecular FormulaC15H15Cl2N3O6S
Molecular Weight436.27 g/mol
Exact Mass435.01
IUPAC Name[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-[(2,6-dichlorophenyl)sulfonylamino]propanoate
SMILESCc1cc(NC(=O)COC(=O)CCNS(=O)(=O)c2c(Cl)cccc2Cl)no1
InChIInChI=1S/C15H15Cl2N3O6S/c1-9-7-12(20-26-9)19-13(21)8-25-14(22)5-6-18-27(23,24)15-10(16)3-2-4-11(15)17/h2-4,7,18H,5-6,8H2,1H3,(H,19,20,21)
InChIKeyOFMYJGOFCYHERX-UHFFFAOYSA-N
XLogP2.14
TPSA127.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.27
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-[(2,6-dichlorophenyl)sulfonylamino]propanoate?
The IUPAC name of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-[(2,6-dichlorophenyl)sulfonylamino]propanoate (CID 2497192) is [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-[(2,6-dichlorophenyl)sulfonylamino]propanoate.
What is the SMILES notation for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-[(2,6-dichlorophenyl)sulfonylamino]propanoate?
The canonical SMILES for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-[(2,6-dichlorophenyl)sulfonylamino]propanoate is Cc1cc(NC(=O)COC(=O)CCNS(=O)(=O)c2c(Cl)cccc2Cl)no1.
What is the InChIKey of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-[(2,6-dichlorophenyl)sulfonylamino]propanoate?
The InChIKey is OFMYJGOFCYHERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3O6S/c1-9-7-12(20-26-9)19-13(21)8-25-14(22)5-6-18-27(23,24)15-10(16)3-2-4-11(15)17/h2-4,7,18H,5-6,8H2,1H3,(H,19,20,21).
What are the key properties of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-[(2,6-dichlorophenyl)sulfonylamino]propanoate?
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-[(2,6-dichlorophenyl)sulfonylamino]propanoate has a molecular weight of 436.27 g/mol, XLogP of 2.14, 8 rotatable bonds, 2 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-[(2,6-dichlorophenyl)sulfonylamino]propanoate is sourced from PubChem (CID 2497192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).