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

C19H19N3O3S — CID 646215

IUPAC(4-methoxyphenyl)-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCCC(c3nc(-c4cccs4)no3)C2)cc1
InChIInChI=1S/C19H19N3O3S/c1-24-15-8-6-13(7-9-15)19(23)22-10-2-4-14(12-22)18-20-17(21-25-18)16-5-3-11-26-16/h3,5-9,11,14H,2,4,10,12H2,1H3
InChIKeyKHQSNMAKMCKHIA-UHFFFAOYSA-N
MW369.45 g/mol
LogP3.83
Rot. Bonds4

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

(4-methoxyphenyl)-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone (PubChem CID 646215) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is (4-methoxyphenyl)-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
PubChem CID646215
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name(4-methoxyphenyl)-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCCC(c3nc(-c4cccs4)no3)C2)cc1
InChIInChI=1S/C19H19N3O3S/c1-24-15-8-6-13(7-9-15)19(23)22-10-2-4-14(12-22)18-20-17(21-25-18)16-5-3-11-26-16/h3,5-9,11,14H,2,4,10,12H2,1H3
InChIKeyKHQSNMAKMCKHIA-UHFFFAOYSA-N
XLogP3.83
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4-methoxyphenyl)-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of (4-methoxyphenyl)-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone (CID 646215) is (4-methoxyphenyl)-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-methoxyphenyl)-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for (4-methoxyphenyl)-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone is COc1ccc(C(=O)N2CCCC(c3nc(-c4cccs4)no3)C2)cc1.
What is the InChIKey of (4-methoxyphenyl)-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is KHQSNMAKMCKHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-24-15-8-6-13(7-9-15)19(23)22-10-2-4-14(12-22)18-20-17(21-25-18)16-5-3-11-26-16/h3,5-9,11,14H,2,4,10,12H2,1H3.
What are the key properties of (4-methoxyphenyl)-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
(4-methoxyphenyl)-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 369.45 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 646215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).