3-[2-(1-cyclohexylpiperidin-4-yl)ethoxy]-1,2-benzoxazole

C20H28N2O2 — CID 22068269

IUPAC3-[2-(1-cyclohexylpiperidin-4-yl)ethoxy]-1,2-benzoxazole
SMILESc1ccc2c(OCCC3CCN(C4CCCCC4)CC3)noc2c1
InChIInChI=1S/C20H28N2O2/c1-2-6-17(7-3-1)22-13-10-16(11-14-22)12-15-23-20-18-8-4-5-9-19(18)24-21-20/h4-5,8-9,16-17H,1-3,6-7,10-15H2
InChIKeyYNGYIERYMPATPY-UHFFFAOYSA-N
MW328.46 g/mol
LogP4.64
Rot. Bonds5

About 3-[2-(1-cyclohexylpiperidin-4-yl)ethoxy]-1,2-benzoxazole

3-[2-(1-cyclohexylpiperidin-4-yl)ethoxy]-1,2-benzoxazole (PubChem CID 22068269) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 3-[2-(1-cyclohexylpiperidin-4-yl)ethoxy]-1,2-benzoxazole.

Molecular Properties

Compound Name3-[2-(1-cyclohexylpiperidin-4-yl)ethoxy]-1,2-benzoxazole
PubChem CID22068269
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name3-[2-(1-cyclohexylpiperidin-4-yl)ethoxy]-1,2-benzoxazole
SMILESc1ccc2c(OCCC3CCN(C4CCCCC4)CC3)noc2c1
InChIInChI=1S/C20H28N2O2/c1-2-6-17(7-3-1)22-13-10-16(11-14-22)12-15-23-20-18-8-4-5-9-19(18)24-21-20/h4-5,8-9,16-17H,1-3,6-7,10-15H2
InChIKeyYNGYIERYMPATPY-UHFFFAOYSA-N
XLogP4.64
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-cyclohexylpiperidin-4-yl)ethoxy]-1,2-benzoxazole?
The IUPAC name of 3-[2-(1-cyclohexylpiperidin-4-yl)ethoxy]-1,2-benzoxazole (CID 22068269) is 3-[2-(1-cyclohexylpiperidin-4-yl)ethoxy]-1,2-benzoxazole.
What is the SMILES notation for 3-[2-(1-cyclohexylpiperidin-4-yl)ethoxy]-1,2-benzoxazole?
The canonical SMILES for 3-[2-(1-cyclohexylpiperidin-4-yl)ethoxy]-1,2-benzoxazole is c1ccc2c(OCCC3CCN(C4CCCCC4)CC3)noc2c1.
What is the InChIKey of 3-[2-(1-cyclohexylpiperidin-4-yl)ethoxy]-1,2-benzoxazole?
The InChIKey is YNGYIERYMPATPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-2-6-17(7-3-1)22-13-10-16(11-14-22)12-15-23-20-18-8-4-5-9-19(18)24-21-20/h4-5,8-9,16-17H,1-3,6-7,10-15H2.
What are the key properties of 3-[2-(1-cyclohexylpiperidin-4-yl)ethoxy]-1,2-benzoxazole?
3-[2-(1-cyclohexylpiperidin-4-yl)ethoxy]-1,2-benzoxazole has a molecular weight of 328.46 g/mol, XLogP of 4.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-cyclohexylpiperidin-4-yl)ethoxy]-1,2-benzoxazole is sourced from PubChem (CID 22068269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).