5-[3-(methoxymethyl)-4-(2-methylpiperidin-1-yl)phenyl]-3-(3-methylphenyl)-1,2,4-oxadiazole

C23H27N3O2 — CID 76685326

IUPAC5-[3-(methoxymethyl)-4-(2-methylpiperidin-1-yl)phenyl]-3-(3-methylphenyl)-1,2,4-oxadiazole
SMILESCOCc1cc(-c2nc(-c3cccc(C)c3)no2)ccc1N1CCCCC1C
InChIInChI=1S/C23H27N3O2/c1-16-7-6-9-18(13-16)22-24-23(28-25-22)19-10-11-21(20(14-19)15-27-3)26-12-5-4-8-17(26)2/h6-7,9-11,13-14,17H,4-5,8,12,15H2,1-3H3
InChIKeyUQIFDXHBEIBTOU-UHFFFAOYSA-N
MW377.49 g/mol
LogP5.24
Rot. Bonds5

About 5-[3-(methoxymethyl)-4-(2-methylpiperidin-1-yl)phenyl]-3-(3-methylphenyl)-1,2,4-oxadiazole

5-[3-(methoxymethyl)-4-(2-methylpiperidin-1-yl)phenyl]-3-(3-methylphenyl)-1,2,4-oxadiazole (PubChem CID 76685326) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 5-[3-(methoxymethyl)-4-(2-methylpiperidin-1-yl)phenyl]-3-(3-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[3-(methoxymethyl)-4-(2-methylpiperidin-1-yl)phenyl]-3-(3-methylphenyl)-1,2,4-oxadiazole
PubChem CID76685326
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name5-[3-(methoxymethyl)-4-(2-methylpiperidin-1-yl)phenyl]-3-(3-methylphenyl)-1,2,4-oxadiazole
SMILESCOCc1cc(-c2nc(-c3cccc(C)c3)no2)ccc1N1CCCCC1C
InChIInChI=1S/C23H27N3O2/c1-16-7-6-9-18(13-16)22-24-23(28-25-22)19-10-11-21(20(14-19)15-27-3)26-12-5-4-8-17(26)2/h6-7,9-11,13-14,17H,4-5,8,12,15H2,1-3H3
InChIKeyUQIFDXHBEIBTOU-UHFFFAOYSA-N
XLogP5.24
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.49
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(methoxymethyl)-4-(2-methylpiperidin-1-yl)phenyl]-3-(3-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[3-(methoxymethyl)-4-(2-methylpiperidin-1-yl)phenyl]-3-(3-methylphenyl)-1,2,4-oxadiazole (CID 76685326) is 5-[3-(methoxymethyl)-4-(2-methylpiperidin-1-yl)phenyl]-3-(3-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[3-(methoxymethyl)-4-(2-methylpiperidin-1-yl)phenyl]-3-(3-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[3-(methoxymethyl)-4-(2-methylpiperidin-1-yl)phenyl]-3-(3-methylphenyl)-1,2,4-oxadiazole is COCc1cc(-c2nc(-c3cccc(C)c3)no2)ccc1N1CCCCC1C.
What is the InChIKey of 5-[3-(methoxymethyl)-4-(2-methylpiperidin-1-yl)phenyl]-3-(3-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is UQIFDXHBEIBTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-16-7-6-9-18(13-16)22-24-23(28-25-22)19-10-11-21(20(14-19)15-27-3)26-12-5-4-8-17(26)2/h6-7,9-11,13-14,17H,4-5,8,12,15H2,1-3H3.
What are the key properties of 5-[3-(methoxymethyl)-4-(2-methylpiperidin-1-yl)phenyl]-3-(3-methylphenyl)-1,2,4-oxadiazole?
5-[3-(methoxymethyl)-4-(2-methylpiperidin-1-yl)phenyl]-3-(3-methylphenyl)-1,2,4-oxadiazole has a molecular weight of 377.49 g/mol, XLogP of 5.24, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(methoxymethyl)-4-(2-methylpiperidin-1-yl)phenyl]-3-(3-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 76685326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).