2-[4-(2-piperidin-1-ylethoxy)phenoxy]-1,3-benzoxazole

C20H22N2O3 — CID 11739248

IUPAC2-[4-(2-piperidin-1-ylethoxy)phenoxy]-1,3-benzoxazole
SMILESc1ccc2oc(Oc3ccc(OCCN4CCCCC4)cc3)nc2c1
InChIInChI=1S/C20H22N2O3/c1-4-12-22(13-5-1)14-15-23-16-8-10-17(11-9-16)24-20-21-18-6-2-3-7-19(18)25-20/h2-3,6-11H,1,4-5,12-15H2
InChIKeyZIQGASWXUSSORV-UHFFFAOYSA-N
MW338.41 g/mol
LogP4.48
Rot. Bonds6

About 2-[4-(2-piperidin-1-ylethoxy)phenoxy]-1,3-benzoxazole

2-[4-(2-piperidin-1-ylethoxy)phenoxy]-1,3-benzoxazole (PubChem CID 11739248) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-[4-(2-piperidin-1-ylethoxy)phenoxy]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[4-(2-piperidin-1-ylethoxy)phenoxy]-1,3-benzoxazole
PubChem CID11739248
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name2-[4-(2-piperidin-1-ylethoxy)phenoxy]-1,3-benzoxazole
SMILESc1ccc2oc(Oc3ccc(OCCN4CCCCC4)cc3)nc2c1
InChIInChI=1S/C20H22N2O3/c1-4-12-22(13-5-1)14-15-23-16-8-10-17(11-9-16)24-20-21-18-6-2-3-7-19(18)25-20/h2-3,6-11H,1,4-5,12-15H2
InChIKeyZIQGASWXUSSORV-UHFFFAOYSA-N
XLogP4.48
TPSA47.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-piperidin-1-ylethoxy)phenoxy]-1,3-benzoxazole?
The IUPAC name of 2-[4-(2-piperidin-1-ylethoxy)phenoxy]-1,3-benzoxazole (CID 11739248) is 2-[4-(2-piperidin-1-ylethoxy)phenoxy]-1,3-benzoxazole.
What is the SMILES notation for 2-[4-(2-piperidin-1-ylethoxy)phenoxy]-1,3-benzoxazole?
The canonical SMILES for 2-[4-(2-piperidin-1-ylethoxy)phenoxy]-1,3-benzoxazole is c1ccc2oc(Oc3ccc(OCCN4CCCCC4)cc3)nc2c1.
What is the InChIKey of 2-[4-(2-piperidin-1-ylethoxy)phenoxy]-1,3-benzoxazole?
The InChIKey is ZIQGASWXUSSORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-4-12-22(13-5-1)14-15-23-16-8-10-17(11-9-16)24-20-21-18-6-2-3-7-19(18)25-20/h2-3,6-11H,1,4-5,12-15H2.
What are the key properties of 2-[4-(2-piperidin-1-ylethoxy)phenoxy]-1,3-benzoxazole?
2-[4-(2-piperidin-1-ylethoxy)phenoxy]-1,3-benzoxazole has a molecular weight of 338.41 g/mol, XLogP of 4.48, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-piperidin-1-ylethoxy)phenoxy]-1,3-benzoxazole is sourced from PubChem (CID 11739248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).