(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 3-[(3,4-difluorophenyl)sulfonylamino]propanoate

C18H15F2N3O5S — CID 24686770

IUPAC(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 3-[(3,4-difluorophenyl)sulfonylamino]propanoate
SMILESO=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)OCc1nc(-c2ccccc2)no1
InChIInChI=1S/C18H15F2N3O5S/c19-14-7-6-13(10-15(14)20)29(25,26)21-9-8-17(24)27-11-16-22-18(23-28-16)12-4-2-1-3-5-12/h1-7,10,21H,8-9,11H2
InChIKeyJNCCHYQGZRTXLM-UHFFFAOYSA-N
MW423.40 g/mol
LogP2.43
Rot. Bonds8

About (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 3-[(3,4-difluorophenyl)sulfonylamino]propanoate

(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 3-[(3,4-difluorophenyl)sulfonylamino]propanoate (PubChem CID 24686770) has the molecular formula C18H15F2N3O5S and a molecular weight of 423.40 g/mol. Its IUPAC name is (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 3-[(3,4-difluorophenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Name(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 3-[(3,4-difluorophenyl)sulfonylamino]propanoate
PubChem CID24686770
Molecular FormulaC18H15F2N3O5S
Molecular Weight423.40 g/mol
Exact Mass423.07
IUPAC Name(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 3-[(3,4-difluorophenyl)sulfonylamino]propanoate
SMILESO=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)OCc1nc(-c2ccccc2)no1
InChIInChI=1S/C18H15F2N3O5S/c19-14-7-6-13(10-15(14)20)29(25,26)21-9-8-17(24)27-11-16-22-18(23-28-16)12-4-2-1-3-5-12/h1-7,10,21H,8-9,11H2
InChIKeyJNCCHYQGZRTXLM-UHFFFAOYSA-N
XLogP2.43
TPSA111.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.40
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
CID 29494232
(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 3-[(3-chlorophenyl)sulfonylamino]propanoate
CID 46805218
(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 3-(4-chlorophenyl)propanoate
CID 134031490
[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetate
CID 55373876
(2-fluorophenyl)methyl 3-[(3-chloro-4-fluorophenyl)sulfonylamino]propanoate
CID 7806814
4-fluoro-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 4895698
3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 55568006
[2-[benzyl(methyl)amino]-2-oxoethyl] 3-[(3,4-difluorophenyl)sulfonylamino]propanoate
CID 33147743
benzyl 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 7414463
[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-fluoro-5-(methylsulfamoyl)benzoate
CID 18286547
methyl 3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfamoyl]benzoate
CID 94008888
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 3-[(4-chlorophenyl)sulfonylamino]propanoate
CID 16588563

Frequently Asked Questions

What is the IUPAC name of (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 3-[(3,4-difluorophenyl)sulfonylamino]propanoate?
The IUPAC name of (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 3-[(3,4-difluorophenyl)sulfonylamino]propanoate (CID 24686770) is (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 3-[(3,4-difluorophenyl)sulfonylamino]propanoate.
What is the SMILES notation for (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 3-[(3,4-difluorophenyl)sulfonylamino]propanoate?
The canonical SMILES for (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 3-[(3,4-difluorophenyl)sulfonylamino]propanoate is O=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)OCc1nc(-c2ccccc2)no1.
What is the InChIKey of (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 3-[(3,4-difluorophenyl)sulfonylamino]propanoate?
The InChIKey is JNCCHYQGZRTXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O5S/c19-14-7-6-13(10-15(14)20)29(25,26)21-9-8-17(24)27-11-16-22-18(23-28-16)12-4-2-1-3-5-12/h1-7,10,21H,8-9,11H2.
What are the key properties of (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 3-[(3,4-difluorophenyl)sulfonylamino]propanoate?
(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 3-[(3,4-difluorophenyl)sulfonylamino]propanoate has a molecular weight of 423.40 g/mol, XLogP of 2.43, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 3-[(3,4-difluorophenyl)sulfonylamino]propanoate is sourced from PubChem (CID 24686770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).