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

C22H25N3O4 — CID 71585289

IUPAC3-[(3-methoxyphenyl)methyl]-5-(4-methoxy-2-piperidin-4-yloxyphenyl)-1,2,4-oxadiazole
SMILESCOc1cccc(Cc2noc(-c3ccc(OC)cc3OC3CCNCC3)n2)c1
InChIInChI=1S/C22H25N3O4/c1-26-17-5-3-4-15(12-17)13-21-24-22(29-25-21)19-7-6-18(27-2)14-20(19)28-16-8-10-23-11-9-16/h3-7,12,14,16,23H,8-11,13H2,1-2H3
InChIKeyLRZGPPPYNDLGBI-UHFFFAOYSA-N
MW395.46 g/mol
LogP3.48
Rot. Bonds7

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

3-[(3-methoxyphenyl)methyl]-5-(4-methoxy-2-piperidin-4-yloxyphenyl)-1,2,4-oxadiazole (PubChem CID 71585289) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is 3-[(3-methoxyphenyl)methyl]-5-(4-methoxy-2-piperidin-4-yloxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(3-methoxyphenyl)methyl]-5-(4-methoxy-2-piperidin-4-yloxyphenyl)-1,2,4-oxadiazole
PubChem CID71585289
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Name3-[(3-methoxyphenyl)methyl]-5-(4-methoxy-2-piperidin-4-yloxyphenyl)-1,2,4-oxadiazole
SMILESCOc1cccc(Cc2noc(-c3ccc(OC)cc3OC3CCNCC3)n2)c1
InChIInChI=1S/C22H25N3O4/c1-26-17-5-3-4-15(12-17)13-21-24-22(29-25-21)19-7-6-18(27-2)14-20(19)28-16-8-10-23-11-9-16/h3-7,12,14,16,23H,8-11,13H2,1-2H3
InChIKeyLRZGPPPYNDLGBI-UHFFFAOYSA-N
XLogP3.48
TPSA78.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxyphenyl)methyl]-5-(4-methoxy-2-piperidin-4-yloxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[(3-methoxyphenyl)methyl]-5-(4-methoxy-2-piperidin-4-yloxyphenyl)-1,2,4-oxadiazole (CID 71585289) is 3-[(3-methoxyphenyl)methyl]-5-(4-methoxy-2-piperidin-4-yloxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(3-methoxyphenyl)methyl]-5-(4-methoxy-2-piperidin-4-yloxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[(3-methoxyphenyl)methyl]-5-(4-methoxy-2-piperidin-4-yloxyphenyl)-1,2,4-oxadiazole is COc1cccc(Cc2noc(-c3ccc(OC)cc3OC3CCNCC3)n2)c1.
What is the InChIKey of 3-[(3-methoxyphenyl)methyl]-5-(4-methoxy-2-piperidin-4-yloxyphenyl)-1,2,4-oxadiazole?
The InChIKey is LRZGPPPYNDLGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-26-17-5-3-4-15(12-17)13-21-24-22(29-25-21)19-7-6-18(27-2)14-20(19)28-16-8-10-23-11-9-16/h3-7,12,14,16,23H,8-11,13H2,1-2H3.
What are the key properties of 3-[(3-methoxyphenyl)methyl]-5-(4-methoxy-2-piperidin-4-yloxyphenyl)-1,2,4-oxadiazole?
3-[(3-methoxyphenyl)methyl]-5-(4-methoxy-2-piperidin-4-yloxyphenyl)-1,2,4-oxadiazole has a molecular weight of 395.46 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxyphenyl)methyl]-5-(4-methoxy-2-piperidin-4-yloxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 71585289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).