3-[(3-methoxyphenyl)methyl]-5-(2-piperidin-4-yloxyphenyl)-1,2,4-oxadiazole

C21H23N3O3 — CID 71585284

IUPAC3-[(3-methoxyphenyl)methyl]-5-(2-piperidin-4-yloxyphenyl)-1,2,4-oxadiazole
SMILESCOc1cccc(Cc2noc(-c3ccccc3OC3CCNCC3)n2)c1
InChIInChI=1S/C21H23N3O3/c1-25-17-6-4-5-15(13-17)14-20-23-21(27-24-20)18-7-2-3-8-19(18)26-16-9-11-22-12-10-16/h2-8,13,16,22H,9-12,14H2,1H3
InChIKeyWWULKTBBRORRJY-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.47
Rot. Bonds6

About 3-[(3-methoxyphenyl)methyl]-5-(2-piperidin-4-yloxyphenyl)-1,2,4-oxadiazole

3-[(3-methoxyphenyl)methyl]-5-(2-piperidin-4-yloxyphenyl)-1,2,4-oxadiazole (PubChem CID 71585284) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 3-[(3-methoxyphenyl)methyl]-5-(2-piperidin-4-yloxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(3-methoxyphenyl)methyl]-5-(2-piperidin-4-yloxyphenyl)-1,2,4-oxadiazole
PubChem CID71585284
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name3-[(3-methoxyphenyl)methyl]-5-(2-piperidin-4-yloxyphenyl)-1,2,4-oxadiazole
SMILESCOc1cccc(Cc2noc(-c3ccccc3OC3CCNCC3)n2)c1
InChIInChI=1S/C21H23N3O3/c1-25-17-6-4-5-15(13-17)14-20-23-21(27-24-20)18-7-2-3-8-19(18)26-16-9-11-22-12-10-16/h2-8,13,16,22H,9-12,14H2,1H3
InChIKeyWWULKTBBRORRJY-UHFFFAOYSA-N
XLogP3.47
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxyphenyl)methyl]-5-(2-piperidin-4-yloxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[(3-methoxyphenyl)methyl]-5-(2-piperidin-4-yloxyphenyl)-1,2,4-oxadiazole (CID 71585284) is 3-[(3-methoxyphenyl)methyl]-5-(2-piperidin-4-yloxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(3-methoxyphenyl)methyl]-5-(2-piperidin-4-yloxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[(3-methoxyphenyl)methyl]-5-(2-piperidin-4-yloxyphenyl)-1,2,4-oxadiazole is COc1cccc(Cc2noc(-c3ccccc3OC3CCNCC3)n2)c1.
What is the InChIKey of 3-[(3-methoxyphenyl)methyl]-5-(2-piperidin-4-yloxyphenyl)-1,2,4-oxadiazole?
The InChIKey is WWULKTBBRORRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-25-17-6-4-5-15(13-17)14-20-23-21(27-24-20)18-7-2-3-8-19(18)26-16-9-11-22-12-10-16/h2-8,13,16,22H,9-12,14H2,1H3.
What are the key properties of 3-[(3-methoxyphenyl)methyl]-5-(2-piperidin-4-yloxyphenyl)-1,2,4-oxadiazole?
3-[(3-methoxyphenyl)methyl]-5-(2-piperidin-4-yloxyphenyl)-1,2,4-oxadiazole has a molecular weight of 365.43 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxyphenyl)methyl]-5-(2-piperidin-4-yloxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 71585284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).