5-[2-(2-methoxyphenyl)ethyl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole

C18H25N3O2 — CID 56702230

IUPAC5-[2-(2-methoxyphenyl)ethyl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole
SMILESCOc1ccccc1CCc1nc(CC2CCN(C)CC2)no1
InChIInChI=1S/C18H25N3O2/c1-21-11-9-14(10-12-21)13-17-19-18(23-20-17)8-7-15-5-3-4-6-16(15)22-2/h3-6,14H,7-13H2,1-2H3
InChIKeyOXIPHLCDVMZCQO-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.75
Rot. Bonds6

About 5-[2-(2-methoxyphenyl)ethyl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole

5-[2-(2-methoxyphenyl)ethyl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole (PubChem CID 56702230) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 5-[2-(2-methoxyphenyl)ethyl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[2-(2-methoxyphenyl)ethyl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole
PubChem CID56702230
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name5-[2-(2-methoxyphenyl)ethyl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole
SMILESCOc1ccccc1CCc1nc(CC2CCN(C)CC2)no1
InChIInChI=1S/C18H25N3O2/c1-21-11-9-14(10-12-21)13-17-19-18(23-20-17)8-7-15-5-3-4-6-16(15)22-2/h3-6,14H,7-13H2,1-2H3
InChIKeyOXIPHLCDVMZCQO-UHFFFAOYSA-N
XLogP2.75
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-methoxyphenyl)ethyl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-[2-(2-methoxyphenyl)ethyl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole (CID 56702230) is 5-[2-(2-methoxyphenyl)ethyl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[2-(2-methoxyphenyl)ethyl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[2-(2-methoxyphenyl)ethyl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole is COc1ccccc1CCc1nc(CC2CCN(C)CC2)no1.
What is the InChIKey of 5-[2-(2-methoxyphenyl)ethyl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is OXIPHLCDVMZCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-21-11-9-14(10-12-21)13-17-19-18(23-20-17)8-7-15-5-3-4-6-16(15)22-2/h3-6,14H,7-13H2,1-2H3.
What are the key properties of 5-[2-(2-methoxyphenyl)ethyl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole?
5-[2-(2-methoxyphenyl)ethyl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 315.42 g/mol, XLogP of 2.75, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-methoxyphenyl)ethyl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 56702230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).