[2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone

C15H19N3O2S — CID 56686177

IUPAC[2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone
SMILESCCc1noc(C2CCCCN2C(=O)c2sccc2C)n1
InChIInChI=1S/C15H19N3O2S/c1-3-12-16-14(20-17-12)11-6-4-5-8-18(11)15(19)13-10(2)7-9-21-13/h7,9,11H,3-6,8H2,1-2H3
InChIKeyQMDGSSNVKGDPTR-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.37
Rot. Bonds3

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

[2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone (PubChem CID 56686177) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is [2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone
PubChem CID56686177
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name[2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone
SMILESCCc1noc(C2CCCCN2C(=O)c2sccc2C)n1
InChIInChI=1S/C15H19N3O2S/c1-3-12-16-14(20-17-12)11-6-4-5-8-18(11)15(19)13-10(2)7-9-21-13/h7,9,11H,3-6,8H2,1-2H3
InChIKeyQMDGSSNVKGDPTR-UHFFFAOYSA-N
XLogP3.37
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone?
The IUPAC name of [2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone (CID 56686177) is [2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone.
What is the SMILES notation for [2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone?
The canonical SMILES for [2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone is CCc1noc(C2CCCCN2C(=O)c2sccc2C)n1.
What is the InChIKey of [2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone?
The InChIKey is QMDGSSNVKGDPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-3-12-16-14(20-17-12)11-6-4-5-8-18(11)15(19)13-10(2)7-9-21-13/h7,9,11H,3-6,8H2,1-2H3.
What are the key properties of [2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone?
[2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone has a molecular weight of 305.40 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone is sourced from PubChem (CID 56686177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).