(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate

C19H19N3O5S2 — CID 2080327

IUPAC(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate
SMILESO=C(OCc1nnc(-c2ccccc2)o1)C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C19H19N3O5S2/c23-19(26-13-16-20-21-18(27-16)14-5-2-1-3-6-14)15-8-10-22(11-9-15)29(24,25)17-7-4-12-28-17/h1-7,12,15H,8-11,13H2
InChIKeyMUJLWMZMCFRGGJ-UHFFFAOYSA-N
MW433.51 g/mol
LogP2.94
Rot. Bonds6

About (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate

(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate (PubChem CID 2080327) has the molecular formula C19H19N3O5S2 and a molecular weight of 433.51 g/mol. Its IUPAC name is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate.

Molecular Properties

Compound Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate
PubChem CID2080327
Molecular FormulaC19H19N3O5S2
Molecular Weight433.51 g/mol
Exact Mass433.08
IUPAC Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate
SMILESO=C(OCc1nnc(-c2ccccc2)o1)C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C19H19N3O5S2/c23-19(26-13-16-20-21-18(27-16)14-5-2-1-3-6-14)15-8-10-22(11-9-15)29(24,25)17-7-4-12-28-17/h1-7,12,15H,8-11,13H2
InChIKeyMUJLWMZMCFRGGJ-UHFFFAOYSA-N
XLogP2.94
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 ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-(5-Thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 3-(4-methylphenyl)sulfonylpropanoate
CID 16293234
(5-Phenyl-1,3,4-oxadiazol-2-yl)methyl 3-methylthiophene-2-carboxylate
CID 2103318
(5-Phenyl-1,3,4-oxadiazol-2-yl)methyl 3-(4-methylphenyl)sulfonylpropanoate
CID 2483899
N-(2-methoxyethyl)-3-morpholin-4-ylsulfonyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 16325159
(5-Phenyl-1,3,4-oxadiazol-2-yl)methyl 4-oxo-4-thiophen-2-ylbutanoate
CID 2080380
Ethyl 2-[[5-[4-(thiophen-2-ylmethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
CID 3221353
3-morpholin-4-ylsulfonyl-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 16300048
(5-Phenyl-1,3,4-oxadiazol-2-yl)methyl 3-morpholin-4-ylsulfonylbenzoate
CID 16521597
{5-[4-(4-Methyl-piperidine-1-sulfonyl)-phenyl]-[1,3,4]oxadiazol-2-ylsulfanyl}-acetic acid ethyl ester
CID 652119
2-[4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 145955307
(5-Phenyl-1,3,4-oxadiazol-2-yl)methyl 3-(diethylsulfamoyl)benzoate
CID 2080308
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate
CID 2081397

Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate?
The IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate (CID 2080327) is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate.
What is the SMILES notation for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate?
The canonical SMILES for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate is O=C(OCc1nnc(-c2ccccc2)o1)C1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate?
The InChIKey is MUJLWMZMCFRGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5S2/c23-19(26-13-16-20-21-18(27-16)14-5-2-1-3-6-14)15-8-10-22(11-9-15)29(24,25)17-7-4-12-28-17/h1-7,12,15H,8-11,13H2.
What are the key properties of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate?
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate has a molecular weight of 433.51 g/mol, XLogP of 2.94, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate is sourced from PubChem (CID 2080327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).