[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(2-methylphenyl)methanone

C22H23N3O3 — CID 3226052

IUPAC[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(2-methylphenyl)methanone
SMILESCOc1ccc(-c2noc(C3CCCN(C(=O)c4ccccc4C)C3)n2)cc1
InChIInChI=1S/C22H23N3O3/c1-15-6-3-4-8-19(15)22(26)25-13-5-7-17(14-25)21-23-20(24-28-21)16-9-11-18(27-2)12-10-16/h3-4,6,8-12,17H,5,7,13-14H2,1-2H3
InChIKeyFCBZWCJYZBOYMD-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.07
Rot. Bonds4

About [3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(2-methylphenyl)methanone

[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(2-methylphenyl)methanone (PubChem CID 3226052) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is [3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(2-methylphenyl)methanone.

Molecular Properties

Compound Name[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(2-methylphenyl)methanone
PubChem CID3226052
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(2-methylphenyl)methanone
SMILESCOc1ccc(-c2noc(C3CCCN(C(=O)c4ccccc4C)C3)n2)cc1
InChIInChI=1S/C22H23N3O3/c1-15-6-3-4-8-19(15)22(26)25-13-5-7-17(14-25)21-23-20(24-28-21)16-9-11-18(27-2)12-10-16/h3-4,6,8-12,17H,5,7,13-14H2,1-2H3
InChIKeyFCBZWCJYZBOYMD-UHFFFAOYSA-N
XLogP4.07
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(2-methylphenyl)methanone?
The IUPAC name of [3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(2-methylphenyl)methanone (CID 3226052) is [3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(2-methylphenyl)methanone.
What is the SMILES notation for [3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(2-methylphenyl)methanone?
The canonical SMILES for [3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(2-methylphenyl)methanone is COc1ccc(-c2noc(C3CCCN(C(=O)c4ccccc4C)C3)n2)cc1.
What is the InChIKey of [3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(2-methylphenyl)methanone?
The InChIKey is FCBZWCJYZBOYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-15-6-3-4-8-19(15)22(26)25-13-5-7-17(14-25)21-23-20(24-28-21)16-9-11-18(27-2)12-10-16/h3-4,6,8-12,17H,5,7,13-14H2,1-2H3.
What are the key properties of [3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(2-methylphenyl)methanone?
[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(2-methylphenyl)methanone has a molecular weight of 377.44 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(2-methylphenyl)methanone is sourced from PubChem (CID 3226052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).