6-(3-piperidin-2-yloxetan-3-yl)-1,3-benzoxazole

C15H18N2O2 — CID 116870937

IUPAC6-(3-piperidin-2-yloxetan-3-yl)-1,3-benzoxazole
SMILESc1nc2ccc(C3(C4CCCCN4)COC3)cc2o1
InChIInChI=1S/C15H18N2O2/c1-2-6-16-14(3-1)15(8-18-9-15)11-4-5-12-13(7-11)19-10-17-12/h4-5,7,10,14,16H,1-3,6,8-9H2
InChIKeyCYJGWNCBQDENGE-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.24
Rot. Bonds2

About 6-(3-piperidin-2-yloxetan-3-yl)-1,3-benzoxazole

6-(3-piperidin-2-yloxetan-3-yl)-1,3-benzoxazole (PubChem CID 116870937) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 6-(3-piperidin-2-yloxetan-3-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name6-(3-piperidin-2-yloxetan-3-yl)-1,3-benzoxazole
PubChem CID116870937
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name6-(3-piperidin-2-yloxetan-3-yl)-1,3-benzoxazole
SMILESc1nc2ccc(C3(C4CCCCN4)COC3)cc2o1
InChIInChI=1S/C15H18N2O2/c1-2-6-16-14(3-1)15(8-18-9-15)11-4-5-12-13(7-11)19-10-17-12/h4-5,7,10,14,16H,1-3,6,8-9H2
InChIKeyCYJGWNCBQDENGE-UHFFFAOYSA-N
XLogP2.24
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(3-piperidin-2-yloxetan-3-yl)-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 6-(3-piperidin-2-yloxetan-3-yl)-1,3-benzoxazole?
The IUPAC name of 6-(3-piperidin-2-yloxetan-3-yl)-1,3-benzoxazole (CID 116870937) is 6-(3-piperidin-2-yloxetan-3-yl)-1,3-benzoxazole.
What is the SMILES notation for 6-(3-piperidin-2-yloxetan-3-yl)-1,3-benzoxazole?
The canonical SMILES for 6-(3-piperidin-2-yloxetan-3-yl)-1,3-benzoxazole is c1nc2ccc(C3(C4CCCCN4)COC3)cc2o1.
What is the InChIKey of 6-(3-piperidin-2-yloxetan-3-yl)-1,3-benzoxazole?
The InChIKey is CYJGWNCBQDENGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-2-6-16-14(3-1)15(8-18-9-15)11-4-5-12-13(7-11)19-10-17-12/h4-5,7,10,14,16H,1-3,6,8-9H2.
What are the key properties of 6-(3-piperidin-2-yloxetan-3-yl)-1,3-benzoxazole?
6-(3-piperidin-2-yloxetan-3-yl)-1,3-benzoxazole has a molecular weight of 258.32 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-piperidin-2-yloxetan-3-yl)-1,3-benzoxazole is sourced from PubChem (CID 116870937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).