5-ethyl-2-[3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-1,3-benzoxazole

C23H28N2O2 — CID 123290146

IUPAC5-ethyl-2-[3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-1,3-benzoxazole
SMILESCCc1ccc2oc(-c3cccc(OCCN4CCC(C)CC4)c3)nc2c1
InChIInChI=1S/C23H28N2O2/c1-3-18-7-8-22-21(15-18)24-23(27-22)19-5-4-6-20(16-19)26-14-13-25-11-9-17(2)10-12-25/h4-8,15-17H,3,9-14H2,1-2H3
InChIKeySYTKIYACOLGCQS-UHFFFAOYSA-N
MW364.49 g/mol
LogP5.17
Rot. Bonds6

About 5-ethyl-2-[3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-1,3-benzoxazole

5-ethyl-2-[3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-1,3-benzoxazole (PubChem CID 123290146) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 5-ethyl-2-[3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name5-ethyl-2-[3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-1,3-benzoxazole
PubChem CID123290146
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name5-ethyl-2-[3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-1,3-benzoxazole
SMILESCCc1ccc2oc(-c3cccc(OCCN4CCC(C)CC4)c3)nc2c1
InChIInChI=1S/C23H28N2O2/c1-3-18-7-8-22-21(15-18)24-23(27-22)19-5-4-6-20(16-19)26-14-13-25-11-9-17(2)10-12-25/h4-8,15-17H,3,9-14H2,1-2H3
InChIKeySYTKIYACOLGCQS-UHFFFAOYSA-N
XLogP5.17
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.49
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-1,3-benzoxazole?
The IUPAC name of 5-ethyl-2-[3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-1,3-benzoxazole (CID 123290146) is 5-ethyl-2-[3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-1,3-benzoxazole.
What is the SMILES notation for 5-ethyl-2-[3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-1,3-benzoxazole?
The canonical SMILES for 5-ethyl-2-[3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-1,3-benzoxazole is CCc1ccc2oc(-c3cccc(OCCN4CCC(C)CC4)c3)nc2c1.
What is the InChIKey of 5-ethyl-2-[3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-1,3-benzoxazole?
The InChIKey is SYTKIYACOLGCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-3-18-7-8-22-21(15-18)24-23(27-22)19-5-4-6-20(16-19)26-14-13-25-11-9-17(2)10-12-25/h4-8,15-17H,3,9-14H2,1-2H3.
What are the key properties of 5-ethyl-2-[3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-1,3-benzoxazole?
5-ethyl-2-[3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-1,3-benzoxazole has a molecular weight of 364.49 g/mol, XLogP of 5.17, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-1,3-benzoxazole is sourced from PubChem (CID 123290146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).