(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl 2-piperidin-1-ylsulfonylbenzoate

C19H19N3O5S2 — CID 55448467

IUPAC(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl 2-piperidin-1-ylsulfonylbenzoate
SMILESO=C(OCc1noc(-c2cccs2)n1)c1ccccc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C19H19N3O5S2/c23-19(26-13-17-20-18(27-21-17)15-8-6-12-28-15)14-7-2-3-9-16(14)29(24,25)22-10-4-1-5-11-22/h2-3,6-9,12H,1,4-5,10-11,13H2
InChIKeyKXUFUACZTKDAKY-UHFFFAOYSA-N
MW433.51 g/mol
LogP3.33
Rot. Bonds6

About (5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl 2-piperidin-1-ylsulfonylbenzoate

(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl 2-piperidin-1-ylsulfonylbenzoate (PubChem CID 55448467) has the molecular formula C19H19N3O5S2 and a molecular weight of 433.51 g/mol. Its IUPAC name is (5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl 2-piperidin-1-ylsulfonylbenzoate.

Molecular Properties

Compound Name(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl 2-piperidin-1-ylsulfonylbenzoate
PubChem CID55448467
Molecular FormulaC19H19N3O5S2
Molecular Weight433.51 g/mol
Exact Mass433.08
IUPAC Name(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl 2-piperidin-1-ylsulfonylbenzoate
SMILESO=C(OCc1noc(-c2cccs2)n1)c1ccccc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C19H19N3O5S2/c23-19(26-13-17-20-18(27-21-17)15-8-6-12-28-15)14-7-2-3-9-16(14)29(24,25)22-10-4-1-5-11-22/h2-3,6-9,12H,1,4-5,10-11,13H2
InChIKeyKXUFUACZTKDAKY-UHFFFAOYSA-N
XLogP3.33
TPSA102.60 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]azepane-1-sulfonamide
CID 128953261
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CID 55643790
(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl 4-bromobenzoate
CID 55448997
(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl 1-(thiophene-2-carbonyl)piperidine-3-carboxylate
CID 55569253
(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl 2-[(2-fluorobenzoyl)amino]acetate
CID 37326452
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate
CID 16870213
(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl 4-piperidin-1-ylsulfonylbenzoate
CID 2651732
3-(4-pyrrolidin-1-ylsulfonylphenyl)-5-thiophen-2-yl-1,2,4-oxadiazole
CID 53075191
(4-nitrophenyl)methyl 2-piperidin-1-ylsulfonylbenzoate
CID 7806929
imidazo[1,2-a]pyridin-2-ylmethyl 2-piperidin-1-ylsulfonylbenzoate
CID 7626180
[5-[5-(azepan-1-ylmethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]methyl benzoate
CID 54480882
(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl 5-methylsulfanyl-2-nitrobenzoate
CID 38548418

Frequently Asked Questions

What is the IUPAC name of (5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl 2-piperidin-1-ylsulfonylbenzoate?
The IUPAC name of (5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl 2-piperidin-1-ylsulfonylbenzoate (CID 55448467) is (5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl 2-piperidin-1-ylsulfonylbenzoate.
What is the SMILES notation for (5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl 2-piperidin-1-ylsulfonylbenzoate?
The canonical SMILES for (5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl 2-piperidin-1-ylsulfonylbenzoate is O=C(OCc1noc(-c2cccs2)n1)c1ccccc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of (5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl 2-piperidin-1-ylsulfonylbenzoate?
The InChIKey is KXUFUACZTKDAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5S2/c23-19(26-13-17-20-18(27-21-17)15-8-6-12-28-15)14-7-2-3-9-16(14)29(24,25)22-10-4-1-5-11-22/h2-3,6-9,12H,1,4-5,10-11,13H2.
What are the key properties of (5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl 2-piperidin-1-ylsulfonylbenzoate?
(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl 2-piperidin-1-ylsulfonylbenzoate has a molecular weight of 433.51 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl 2-piperidin-1-ylsulfonylbenzoate is sourced from PubChem (CID 55448467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).