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

C18H15Cl2N3O2S — CID 121114606

IUPAC(2,4-dichlorophenyl)-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1Cl)N1CCCC(c2nnc(-c3ccsc3)o2)C1
InChIInChI=1S/C18H15Cl2N3O2S/c19-13-3-4-14(15(20)8-13)18(24)23-6-1-2-11(9-23)16-21-22-17(25-16)12-5-7-26-10-12/h3-5,7-8,10-11H,1-2,6,9H2
InChIKeyQCNXDXXNIQISJK-UHFFFAOYSA-N
MW408.31 g/mol
LogP5.12
Rot. Bonds3

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

(2,4-dichlorophenyl)-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone (PubChem CID 121114606) has the molecular formula C18H15Cl2N3O2S and a molecular weight of 408.31 g/mol. Its IUPAC name is (2,4-dichlorophenyl)-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dichlorophenyl)-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
PubChem CID121114606
Molecular FormulaC18H15Cl2N3O2S
Molecular Weight408.31 g/mol
Exact Mass407.03
IUPAC Name(2,4-dichlorophenyl)-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1Cl)N1CCCC(c2nnc(-c3ccsc3)o2)C1
InChIInChI=1S/C18H15Cl2N3O2S/c19-13-3-4-14(15(20)8-13)18(24)23-6-1-2-11(9-23)16-21-22-17(25-16)12-5-7-26-10-12/h3-5,7-8,10-11H,1-2,6,9H2
InChIKeyQCNXDXXNIQISJK-UHFFFAOYSA-N
XLogP5.12
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.31
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2,4-dichlorophenyl)-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 121069364
(2-chloro-6-fluorophenyl)-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 121114608
phenyl-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 121114576
(3-fluorophenyl)-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 121114597
N-ethyl-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide
CID 121114764
(4-methylthiadiazol-5-yl)-[(3S)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 97426996
(4-methylthiadiazol-5-yl)-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 72717117
(2-methyl-1-benzofuran-5-yl)-[(3R)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 92555028
(2-methyl-1-benzofuran-5-yl)-[(3S)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 92555029
(3-nitrophenyl)-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 121114611
(4-propan-2-yloxyphenyl)-[(3R)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 97426971
1,3-benzothiazol-2-yl-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 121114690

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (2,4-dichlorophenyl)-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone (CID 121114606) is (2,4-dichlorophenyl)-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2,4-dichlorophenyl)-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2,4-dichlorophenyl)-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone is O=C(c1ccc(Cl)cc1Cl)N1CCCC(c2nnc(-c3ccsc3)o2)C1.
What is the InChIKey of (2,4-dichlorophenyl)-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is QCNXDXXNIQISJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3O2S/c19-13-3-4-14(15(20)8-13)18(24)23-6-1-2-11(9-23)16-21-22-17(25-16)12-5-7-26-10-12/h3-5,7-8,10-11H,1-2,6,9H2.
What are the key properties of (2,4-dichlorophenyl)-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone?
(2,4-dichlorophenyl)-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 408.31 g/mol, XLogP of 5.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 121114606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).