[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(benzenesulfonamido)acetate

C18H17N3O5S — CID 31012168

IUPAC[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(benzenesulfonamido)acetate
SMILESC[C@@H](OC(=O)CNS(=O)(=O)c1ccccc1)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C18H17N3O5S/c1-13(17-20-21-18(26-17)14-8-4-2-5-9-14)25-16(22)12-19-27(23,24)15-10-6-3-7-11-15/h2-11,13,19H,12H2,1H3/t13-/m1/s1
InChIKeyKDYIDTGPPNGFTJ-CYBMUJFWSA-N
MW387.42 g/mol
LogP2.32
Rot. Bonds7

About [(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(benzenesulfonamido)acetate

[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(benzenesulfonamido)acetate (PubChem CID 31012168) has the molecular formula C18H17N3O5S and a molecular weight of 387.42 g/mol. Its IUPAC name is [(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(benzenesulfonamido)acetate.

Molecular Properties

Compound Name[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(benzenesulfonamido)acetate
PubChem CID31012168
Molecular FormulaC18H17N3O5S
Molecular Weight387.42 g/mol
Exact Mass387.09
IUPAC Name[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(benzenesulfonamido)acetate
SMILESC[C@@H](OC(=O)CNS(=O)(=O)c1ccccc1)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C18H17N3O5S/c1-13(17-20-21-18(26-17)14-8-4-2-5-9-14)25-16(22)12-19-27(23,24)15-10-6-3-7-11-15/h2-11,13,19H,12H2,1H3/t13-/m1/s1
InChIKeyKDYIDTGPPNGFTJ-CYBMUJFWSA-N
XLogP2.32
TPSA111.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-(thiophen-2-ylsulfonylamino)acetate
CID 43065260
1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 3-(prop-2-ynylsulfamoyl)benzoate
CID 55449963
[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 7604905
[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-[(4-chlorobenzoyl)amino]acetate
CID 8942634
[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-[(4-chlorobenzoyl)amino]acetate
CID 8942628
[(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-benzamidoacetate
CID 9412822
[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(naphthalene-2-carbonylamino)acetate
CID 8943626
[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(4-ethoxyphenoxy)acetate
CID 7628188
[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(2,6-dichlorophenyl)acetate
CID 7604320
[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 3-(2-chlorophenyl)propanoate
CID 31012201
1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-benzamidoacetate
CID 18209821
[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
CID 8835962

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(benzenesulfonamido)acetate?
The IUPAC name of [(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(benzenesulfonamido)acetate (CID 31012168) is [(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(benzenesulfonamido)acetate.
What is the SMILES notation for [(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(benzenesulfonamido)acetate?
The canonical SMILES for [(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(benzenesulfonamido)acetate is C[C@@H](OC(=O)CNS(=O)(=O)c1ccccc1)c1nnc(-c2ccccc2)o1.
What is the InChIKey of [(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(benzenesulfonamido)acetate?
The InChIKey is KDYIDTGPPNGFTJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H17N3O5S/c1-13(17-20-21-18(26-17)14-8-4-2-5-9-14)25-16(22)12-19-27(23,24)15-10-6-3-7-11-15/h2-11,13,19H,12H2,1H3/t13-/m1/s1.
What are the key properties of [(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(benzenesulfonamido)acetate?
[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(benzenesulfonamido)acetate has a molecular weight of 387.42 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(benzenesulfonamido)acetate is sourced from PubChem (CID 31012168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).