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

C19H19N3O3S — CID 651342

IUPAC(3-methoxyphenyl)-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
SMILESCOc1cccc(C(=O)N2CCCC(c3nc(-c4cccs4)no3)C2)c1
InChIInChI=1S/C19H19N3O3S/c1-24-15-7-2-5-13(11-15)19(23)22-9-3-6-14(12-22)18-20-17(21-25-18)16-8-4-10-26-16/h2,4-5,7-8,10-11,14H,3,6,9,12H2,1H3
InChIKeyWHQDULBMRIDRHN-UHFFFAOYSA-N
MW369.45 g/mol
LogP3.83
Rot. Bonds4

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

(3-methoxyphenyl)-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone (PubChem CID 651342) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is (3-methoxyphenyl)-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-methoxyphenyl)-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
PubChem CID651342
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name(3-methoxyphenyl)-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
SMILESCOc1cccc(C(=O)N2CCCC(c3nc(-c4cccs4)no3)C2)c1
InChIInChI=1S/C19H19N3O3S/c1-24-15-7-2-5-13(11-15)19(23)22-9-3-6-14(12-22)18-20-17(21-25-18)16-8-4-10-26-16/h2,4-5,7-8,10-11,14H,3,6,9,12H2,1H3
InChIKeyWHQDULBMRIDRHN-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

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Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of (3-methoxyphenyl)-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone (CID 651342) is (3-methoxyphenyl)-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-methoxyphenyl)-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for (3-methoxyphenyl)-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone is COc1cccc(C(=O)N2CCCC(c3nc(-c4cccs4)no3)C2)c1.
What is the InChIKey of (3-methoxyphenyl)-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is WHQDULBMRIDRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-24-15-7-2-5-13(11-15)19(23)22-9-3-6-14(12-22)18-20-17(21-25-18)16-8-4-10-26-16/h2,4-5,7-8,10-11,14H,3,6,9,12H2,1H3.
What are the key properties of (3-methoxyphenyl)-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
(3-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 (3-methoxyphenyl)-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 651342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).