4-[[4-[[4-(2-hydroxy-2-methylpropoxy)-1,2-benzoxazol-3-yl]oxymethyl]piperidin-1-yl]methyl]oxan-4-ol

C23H34N2O6 — CID 71462652

IUPAC4-[[4-[[4-(2-hydroxy-2-methylpropoxy)-1,2-benzoxazol-3-yl]oxymethyl]piperidin-1-yl]methyl]oxan-4-ol
SMILESCC(C)(O)COc1cccc2onc(OCC3CCN(CC4(O)CCOCC4)CC3)c12
InChIInChI=1S/C23H34N2O6/c1-22(2,26)16-30-18-4-3-5-19-20(18)21(24-31-19)29-14-17-6-10-25(11-7-17)15-23(27)8-12-28-13-9-23/h3-5,17,26-27H,6-16H2,1-2H3
InChIKeyYQGFHIVRHGMZCA-UHFFFAOYSA-N
MW434.53 g/mol
LogP2.61
Rot. Bonds8

About 4-[[4-[[4-(2-hydroxy-2-methylpropoxy)-1,2-benzoxazol-3-yl]oxymethyl]piperidin-1-yl]methyl]oxan-4-ol

4-[[4-[[4-(2-hydroxy-2-methylpropoxy)-1,2-benzoxazol-3-yl]oxymethyl]piperidin-1-yl]methyl]oxan-4-ol (PubChem CID 71462652) has the molecular formula C23H34N2O6 and a molecular weight of 434.53 g/mol. Its IUPAC name is 4-[[4-[[4-(2-hydroxy-2-methylpropoxy)-1,2-benzoxazol-3-yl]oxymethyl]piperidin-1-yl]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[4-[[4-(2-hydroxy-2-methylpropoxy)-1,2-benzoxazol-3-yl]oxymethyl]piperidin-1-yl]methyl]oxan-4-ol
PubChem CID71462652
Molecular FormulaC23H34N2O6
Molecular Weight434.53 g/mol
Exact Mass434.24
IUPAC Name4-[[4-[[4-(2-hydroxy-2-methylpropoxy)-1,2-benzoxazol-3-yl]oxymethyl]piperidin-1-yl]methyl]oxan-4-ol
SMILESCC(C)(O)COc1cccc2onc(OCC3CCN(CC4(O)CCOCC4)CC3)c12
InChIInChI=1S/C23H34N2O6/c1-22(2,26)16-30-18-4-3-5-19-20(18)21(24-31-19)29-14-17-6-10-25(11-7-17)15-23(27)8-12-28-13-9-23/h3-5,17,26-27H,6-16H2,1-2H3
InChIKeyYQGFHIVRHGMZCA-UHFFFAOYSA-N
XLogP2.61
TPSA97.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.53
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[[4-[[4-(2-hydroxy-2-methylpropoxy)-1,2-benzoxazol-3-yl]oxymethyl]piperidin-1-yl]methyl]oxan-4-ol 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 4-[[4-[[4-(2-hydroxy-2-methylpropoxy)-1,2-benzoxazol-3-yl]oxymethyl]piperidin-1-yl]methyl]oxan-4-ol?
The IUPAC name of 4-[[4-[[4-(2-hydroxy-2-methylpropoxy)-1,2-benzoxazol-3-yl]oxymethyl]piperidin-1-yl]methyl]oxan-4-ol (CID 71462652) is 4-[[4-[[4-(2-hydroxy-2-methylpropoxy)-1,2-benzoxazol-3-yl]oxymethyl]piperidin-1-yl]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[4-[[4-(2-hydroxy-2-methylpropoxy)-1,2-benzoxazol-3-yl]oxymethyl]piperidin-1-yl]methyl]oxan-4-ol?
The canonical SMILES for 4-[[4-[[4-(2-hydroxy-2-methylpropoxy)-1,2-benzoxazol-3-yl]oxymethyl]piperidin-1-yl]methyl]oxan-4-ol is CC(C)(O)COc1cccc2onc(OCC3CCN(CC4(O)CCOCC4)CC3)c12.
What is the InChIKey of 4-[[4-[[4-(2-hydroxy-2-methylpropoxy)-1,2-benzoxazol-3-yl]oxymethyl]piperidin-1-yl]methyl]oxan-4-ol?
The InChIKey is YQGFHIVRHGMZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O6/c1-22(2,26)16-30-18-4-3-5-19-20(18)21(24-31-19)29-14-17-6-10-25(11-7-17)15-23(27)8-12-28-13-9-23/h3-5,17,26-27H,6-16H2,1-2H3.
What are the key properties of 4-[[4-[[4-(2-hydroxy-2-methylpropoxy)-1,2-benzoxazol-3-yl]oxymethyl]piperidin-1-yl]methyl]oxan-4-ol?
4-[[4-[[4-(2-hydroxy-2-methylpropoxy)-1,2-benzoxazol-3-yl]oxymethyl]piperidin-1-yl]methyl]oxan-4-ol has a molecular weight of 434.53 g/mol, XLogP of 2.61, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[[4-(2-hydroxy-2-methylpropoxy)-1,2-benzoxazol-3-yl]oxymethyl]piperidin-1-yl]methyl]oxan-4-ol is sourced from PubChem (CID 71462652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).