piperidin-1-yl-[3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]methanone

C18H17N3O2S — CID 46321655

IUPACpiperidin-1-yl-[3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]methanone
SMILESO=C(c1cccc(-c2noc(-c3cccs3)n2)c1)N1CCCCC1
InChIInChI=1S/C18H17N3O2S/c22-18(21-9-2-1-3-10-21)14-7-4-6-13(12-14)16-19-17(23-20-16)15-8-5-11-24-15/h4-8,11-12H,1-3,9-10H2
InChIKeyGDDGURPBIMMSFB-UHFFFAOYSA-N
MW339.42 g/mol
LogP4.09
Rot. Bonds3

About piperidin-1-yl-[3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]methanone

piperidin-1-yl-[3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]methanone (PubChem CID 46321655) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is piperidin-1-yl-[3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]methanone.

Molecular Properties

Compound Namepiperidin-1-yl-[3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]methanone
PubChem CID46321655
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Namepiperidin-1-yl-[3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]methanone
SMILESO=C(c1cccc(-c2noc(-c3cccs3)n2)c1)N1CCCCC1
InChIInChI=1S/C18H17N3O2S/c22-18(21-9-2-1-3-10-21)14-7-4-6-13(12-14)16-19-17(23-20-16)15-8-5-11-24-15/h4-8,11-12H,1-3,9-10H2
InChIKeyGDDGURPBIMMSFB-UHFFFAOYSA-N
XLogP4.09
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]-piperidin-1-ylmethanone
CID 46321657
3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)benzoic acid
CID 11471260
[3-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-piperidin-1-ylmethanone
CID 50779143
[3-[5-(5-bromofuran-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]-piperidin-1-ylmethanone
CID 46321651
N-[2-methyl-5-[3-[3-(piperidine-1-carbonyl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 50779162
piperazin-1-yl-(3-thiophen-2-ylphenyl)methanone
CID 39371882
(3S)-1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-3-carboxylic acid
CID 124576703
[3-[5-(3,5-dimethylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-morpholin-4-ylmethanone
CID 50778885
N-cyclopentyl-5-oxo-1-[3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]pyrrolidine-3-carboxamide
CID 46321765
3-(4-pyrrolidin-1-ylsulfonylphenyl)-5-thiophen-2-yl-1,2,4-oxadiazole
CID 53075191
(3-methylphenyl)-[(3S)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 1457328
[3-[5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]-piperidin-1-ylmethanone
CID 20932299

Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-[3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]methanone?
The IUPAC name of piperidin-1-yl-[3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]methanone (CID 46321655) is piperidin-1-yl-[3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]methanone.
What is the SMILES notation for piperidin-1-yl-[3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]methanone?
The canonical SMILES for piperidin-1-yl-[3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]methanone is O=C(c1cccc(-c2noc(-c3cccs3)n2)c1)N1CCCCC1.
What is the InChIKey of piperidin-1-yl-[3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]methanone?
The InChIKey is GDDGURPBIMMSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c22-18(21-9-2-1-3-10-21)14-7-4-6-13(12-14)16-19-17(23-20-16)15-8-5-11-24-15/h4-8,11-12H,1-3,9-10H2.
What are the key properties of piperidin-1-yl-[3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]methanone?
piperidin-1-yl-[3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]methanone has a molecular weight of 339.42 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-[3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]methanone is sourced from PubChem (CID 46321655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).