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

C22H25N3O3 — CID 71585386

IUPAC3-[(3-methoxyphenyl)methyl]-5-(4-methyl-2-piperidin-4-yloxyphenyl)-1,2,4-oxadiazole
SMILESCOc1cccc(Cc2noc(-c3ccc(C)cc3OC3CCNCC3)n2)c1
InChIInChI=1S/C22H25N3O3/c1-15-6-7-19(20(12-15)27-17-8-10-23-11-9-17)22-24-21(25-28-22)14-16-4-3-5-18(13-16)26-2/h3-7,12-13,17,23H,8-11,14H2,1-2H3
InChIKeyKRGFKZNFKAIIIH-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.78
Rot. Bonds6

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

3-[(3-methoxyphenyl)methyl]-5-(4-methyl-2-piperidin-4-yloxyphenyl)-1,2,4-oxadiazole (PubChem CID 71585386) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 3-[(3-methoxyphenyl)methyl]-5-(4-methyl-2-piperidin-4-yloxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(3-methoxyphenyl)methyl]-5-(4-methyl-2-piperidin-4-yloxyphenyl)-1,2,4-oxadiazole
PubChem CID71585386
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name3-[(3-methoxyphenyl)methyl]-5-(4-methyl-2-piperidin-4-yloxyphenyl)-1,2,4-oxadiazole
SMILESCOc1cccc(Cc2noc(-c3ccc(C)cc3OC3CCNCC3)n2)c1
InChIInChI=1S/C22H25N3O3/c1-15-6-7-19(20(12-15)27-17-8-10-23-11-9-17)22-24-21(25-28-22)14-16-4-3-5-18(13-16)26-2/h3-7,12-13,17,23H,8-11,14H2,1-2H3
InChIKeyKRGFKZNFKAIIIH-UHFFFAOYSA-N
XLogP3.78
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.78
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-(4-methyl-2-piperidin-4-yloxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[(3-methoxyphenyl)methyl]-5-(4-methyl-2-piperidin-4-yloxyphenyl)-1,2,4-oxadiazole (CID 71585386) is 3-[(3-methoxyphenyl)methyl]-5-(4-methyl-2-piperidin-4-yloxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(3-methoxyphenyl)methyl]-5-(4-methyl-2-piperidin-4-yloxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[(3-methoxyphenyl)methyl]-5-(4-methyl-2-piperidin-4-yloxyphenyl)-1,2,4-oxadiazole is COc1cccc(Cc2noc(-c3ccc(C)cc3OC3CCNCC3)n2)c1.
What is the InChIKey of 3-[(3-methoxyphenyl)methyl]-5-(4-methyl-2-piperidin-4-yloxyphenyl)-1,2,4-oxadiazole?
The InChIKey is KRGFKZNFKAIIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-15-6-7-19(20(12-15)27-17-8-10-23-11-9-17)22-24-21(25-28-22)14-16-4-3-5-18(13-16)26-2/h3-7,12-13,17,23H,8-11,14H2,1-2H3.
What are the key properties of 3-[(3-methoxyphenyl)methyl]-5-(4-methyl-2-piperidin-4-yloxyphenyl)-1,2,4-oxadiazole?
3-[(3-methoxyphenyl)methyl]-5-(4-methyl-2-piperidin-4-yloxyphenyl)-1,2,4-oxadiazole has a molecular weight of 379.46 g/mol, XLogP of 3.78, 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-(4-methyl-2-piperidin-4-yloxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 71585386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).