2-(4-ethylpiperidin-2-yl)-4-methoxy-1,3-benzoxazole

C15H20N2O2 — CID 114764905

IUPAC2-(4-ethylpiperidin-2-yl)-4-methoxy-1,3-benzoxazole
SMILESCCC1CCNC(c2nc3c(OC)cccc3o2)C1
InChIInChI=1S/C15H20N2O2/c1-3-10-7-8-16-11(9-10)15-17-14-12(18-2)5-4-6-13(14)19-15/h4-6,10-11,16H,3,7-9H2,1-2H3
InChIKeyKCFLGJRDAFPIEU-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.29
Rot. Bonds3

About 2-(4-ethylpiperidin-2-yl)-4-methoxy-1,3-benzoxazole

2-(4-ethylpiperidin-2-yl)-4-methoxy-1,3-benzoxazole (PubChem CID 114764905) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-(4-ethylpiperidin-2-yl)-4-methoxy-1,3-benzoxazole.

Molecular Properties

Compound Name2-(4-ethylpiperidin-2-yl)-4-methoxy-1,3-benzoxazole
PubChem CID114764905
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-(4-ethylpiperidin-2-yl)-4-methoxy-1,3-benzoxazole
SMILESCCC1CCNC(c2nc3c(OC)cccc3o2)C1
InChIInChI=1S/C15H20N2O2/c1-3-10-7-8-16-11(9-10)15-17-14-12(18-2)5-4-6-13(14)19-15/h4-6,10-11,16H,3,7-9H2,1-2H3
InChIKeyKCFLGJRDAFPIEU-UHFFFAOYSA-N
XLogP3.29
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-ethylpiperidin-2-yl)-4-methoxy-1,3-benzoxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperidin-2-yl)-4-methoxy-1,3-benzoxazole?
The IUPAC name of 2-(4-ethylpiperidin-2-yl)-4-methoxy-1,3-benzoxazole (CID 114764905) is 2-(4-ethylpiperidin-2-yl)-4-methoxy-1,3-benzoxazole.
What is the SMILES notation for 2-(4-ethylpiperidin-2-yl)-4-methoxy-1,3-benzoxazole?
The canonical SMILES for 2-(4-ethylpiperidin-2-yl)-4-methoxy-1,3-benzoxazole is CCC1CCNC(c2nc3c(OC)cccc3o2)C1.
What is the InChIKey of 2-(4-ethylpiperidin-2-yl)-4-methoxy-1,3-benzoxazole?
The InChIKey is KCFLGJRDAFPIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-3-10-7-8-16-11(9-10)15-17-14-12(18-2)5-4-6-13(14)19-15/h4-6,10-11,16H,3,7-9H2,1-2H3.
What are the key properties of 2-(4-ethylpiperidin-2-yl)-4-methoxy-1,3-benzoxazole?
2-(4-ethylpiperidin-2-yl)-4-methoxy-1,3-benzoxazole has a molecular weight of 260.34 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperidin-2-yl)-4-methoxy-1,3-benzoxazole is sourced from PubChem (CID 114764905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).