[3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone

C15H19N3O3S — CID 91918475

IUPAC[3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone
SMILESCCOCc1nc(C2CCCN(C(=O)c3ccsc3)C2)no1
InChIInChI=1S/C15H19N3O3S/c1-2-20-9-13-16-14(17-21-13)11-4-3-6-18(8-11)15(19)12-5-7-22-10-12/h5,7,10-11H,2-4,6,8-9H2,1H3
InChIKeyDMEDWROJCVLZLL-UHFFFAOYSA-N
MW321.40 g/mol
LogP2.69
Rot. Bonds5

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

[3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone (PubChem CID 91918475) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is [3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone
PubChem CID91918475
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name[3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone
SMILESCCOCc1nc(C2CCCN(C(=O)c3ccsc3)C2)no1
InChIInChI=1S/C15H19N3O3S/c1-2-20-9-13-16-14(17-21-13)11-4-3-6-18(8-11)15(19)12-5-7-22-10-12/h5,7,10-11H,2-4,6,8-9H2,1H3
InChIKeyDMEDWROJCVLZLL-UHFFFAOYSA-N
XLogP2.69
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-thiophen-3-ylmethanone
CID 71687021
[3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 91918469
[3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 91907871
[(3S)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 95221984
[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 95221983
(3,5-dimethoxyphenyl)-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 91918447
[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(3-methylphenyl)methanone
CID 91918423
3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-(3-fluoro-2-methylphenyl)piperidine-1-carboxamide
CID 91907884
ethyl (3S)-1-(thiophene-3-carbonyl)piperidine-3-carboxylate
CID 81344391
[(3S)-3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone
CID 129418244
5-[(3S)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]thiophene-3-carboxamide
CID 95734857
(3-methylphenyl)-[3-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 91907894

Frequently Asked Questions

What is the IUPAC name of [3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone?
The IUPAC name of [3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone (CID 91918475) is [3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone is CCOCc1nc(C2CCCN(C(=O)c3ccsc3)C2)no1.
What is the InChIKey of [3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone?
The InChIKey is DMEDWROJCVLZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-2-20-9-13-16-14(17-21-13)11-4-3-6-18(8-11)15(19)12-5-7-22-10-12/h5,7,10-11H,2-4,6,8-9H2,1H3.
What are the key properties of [3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone?
[3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone has a molecular weight of 321.40 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 91918475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).