5-[[3-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole

C15H17Cl2N3O2 — CID 127437910

IUPAC5-[[3-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(CN2CCCC(Oc3ccc(Cl)c(Cl)c3)C2)n1
InChIInChI=1S/C15H17Cl2N3O2/c1-10-18-15(22-19-10)9-20-6-2-3-12(8-20)21-11-4-5-13(16)14(17)7-11/h4-5,7,12H,2-3,6,8-9H2,1H3
InChIKeyKSMABAMDXHYPOF-UHFFFAOYSA-N
MW342.23 g/mol
LogP3.73
Rot. Bonds4

About 5-[[3-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole

5-[[3-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole (PubChem CID 127437910) has the molecular formula C15H17Cl2N3O2 and a molecular weight of 342.23 g/mol. Its IUPAC name is 5-[[3-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[3-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole
PubChem CID127437910
Molecular FormulaC15H17Cl2N3O2
Molecular Weight342.23 g/mol
Exact Mass341.07
IUPAC Name5-[[3-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(CN2CCCC(Oc3ccc(Cl)c(Cl)c3)C2)n1
InChIInChI=1S/C15H17Cl2N3O2/c1-10-18-15(22-19-10)9-20-6-2-3-12(8-20)21-11-4-5-13(16)14(17)7-11/h4-5,7,12H,2-3,6,8-9H2,1H3
InChIKeyKSMABAMDXHYPOF-UHFFFAOYSA-N
XLogP3.73
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.23
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[[3-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole (CID 127437910) is 5-[[3-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[3-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[[3-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole is Cc1noc(CN2CCCC(Oc3ccc(Cl)c(Cl)c3)C2)n1.
What is the InChIKey of 5-[[3-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is KSMABAMDXHYPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N3O2/c1-10-18-15(22-19-10)9-20-6-2-3-12(8-20)21-11-4-5-13(16)14(17)7-11/h4-5,7,12H,2-3,6,8-9H2,1H3.
What are the key properties of 5-[[3-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole?
5-[[3-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 342.23 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 127437910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).