1-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-thiophen-3-ylethanone

C15H19N3O2S — CID 53191935

IUPAC1-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-thiophen-3-ylethanone
SMILESCCc1noc(C2CCCCN2C(=O)Cc2ccsc2)n1
InChIInChI=1S/C15H19N3O2S/c1-2-13-16-15(20-17-13)12-5-3-4-7-18(12)14(19)9-11-6-8-21-10-11/h6,8,10,12H,2-5,7,9H2,1H3
InChIKeyXZTLMYJTPXKCEI-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.99
Rot. Bonds4

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

1-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-thiophen-3-ylethanone (PubChem CID 53191935) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 1-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-thiophen-3-ylethanone.

Molecular Properties

Compound Name1-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-thiophen-3-ylethanone
PubChem CID53191935
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name1-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-thiophen-3-ylethanone
SMILESCCc1noc(C2CCCCN2C(=O)Cc2ccsc2)n1
InChIInChI=1S/C15H19N3O2S/c1-2-13-16-15(20-17-13)12-5-3-4-7-18(12)14(19)9-11-6-8-21-10-11/h6,8,10,12H,2-5,7,9H2,1H3
InChIKeyXZTLMYJTPXKCEI-UHFFFAOYSA-N
XLogP2.99
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-thiophen-3-ylethanone?
The IUPAC name of 1-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-thiophen-3-ylethanone (CID 53191935) is 1-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-thiophen-3-ylethanone.
What is the SMILES notation for 1-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-thiophen-3-ylethanone?
The canonical SMILES for 1-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-thiophen-3-ylethanone is CCc1noc(C2CCCCN2C(=O)Cc2ccsc2)n1.
What is the InChIKey of 1-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-thiophen-3-ylethanone?
The InChIKey is XZTLMYJTPXKCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-2-13-16-15(20-17-13)12-5-3-4-7-18(12)14(19)9-11-6-8-21-10-11/h6,8,10,12H,2-5,7,9H2,1H3.
What are the key properties of 1-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-thiophen-3-ylethanone?
1-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-thiophen-3-ylethanone has a molecular weight of 305.40 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-thiophen-3-ylethanone is sourced from PubChem (CID 53191935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).