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

C20H21N3O3S — CID 3226258

IUPAC(4-ethoxyphenyl)-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
SMILESCCOc1ccc(C(=O)N2CCCC(c3nc(-c4cccs4)no3)C2)cc1
InChIInChI=1S/C20H21N3O3S/c1-2-25-16-9-7-14(8-10-16)20(24)23-11-3-5-15(13-23)19-21-18(22-26-19)17-6-4-12-27-17/h4,6-10,12,15H,2-3,5,11,13H2,1H3
InChIKeyIKWFKSPKMBMLPK-UHFFFAOYSA-N
MW383.47 g/mol
LogP4.22
Rot. Bonds5

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

(4-ethoxyphenyl)-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone (PubChem CID 3226258) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is (4-ethoxyphenyl)-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-ethoxyphenyl)-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
PubChem CID3226258
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC Name(4-ethoxyphenyl)-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
SMILESCCOc1ccc(C(=O)N2CCCC(c3nc(-c4cccs4)no3)C2)cc1
InChIInChI=1S/C20H21N3O3S/c1-2-25-16-9-7-14(8-10-16)20(24)23-11-3-5-15(13-23)19-21-18(22-26-19)17-6-4-12-27-17/h4,6-10,12,15H,2-3,5,11,13H2,1H3
InChIKeyIKWFKSPKMBMLPK-UHFFFAOYSA-N
XLogP4.22
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-ethoxyphenyl)-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of (4-ethoxyphenyl)-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone (CID 3226258) is (4-ethoxyphenyl)-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-ethoxyphenyl)-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for (4-ethoxyphenyl)-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone is CCOc1ccc(C(=O)N2CCCC(c3nc(-c4cccs4)no3)C2)cc1.
What is the InChIKey of (4-ethoxyphenyl)-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is IKWFKSPKMBMLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-2-25-16-9-7-14(8-10-16)20(24)23-11-3-5-15(13-23)19-21-18(22-26-19)17-6-4-12-27-17/h4,6-10,12,15H,2-3,5,11,13H2,1H3.
What are the key properties of (4-ethoxyphenyl)-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
(4-ethoxyphenyl)-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 383.47 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyphenyl)-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 3226258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).