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

C24H34N2O6 — CID 53357016

IUPAC4-[[4-[[4-(oxan-4-yloxy)-1,2-benzoxazol-3-yl]oxymethyl]piperidin-1-yl]methyl]oxan-4-ol
SMILESOC1(CN2CCC(COc3noc4cccc(OC5CCOCC5)c34)CC2)CCOCC1
InChIInChI=1S/C24H34N2O6/c27-24(8-14-29-15-9-24)17-26-10-4-18(5-11-26)16-30-23-22-20(2-1-3-21(22)32-25-23)31-19-6-12-28-13-7-19/h1-3,18-19,27H,4-17H2
InChIKeyFXBISPPYROAIHZ-UHFFFAOYSA-N
MW446.54 g/mol
LogP3.02
Rot. Bonds7

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

4-[[4-[[4-(oxan-4-yloxy)-1,2-benzoxazol-3-yl]oxymethyl]piperidin-1-yl]methyl]oxan-4-ol (PubChem CID 53357016) has the molecular formula C24H34N2O6 and a molecular weight of 446.54 g/mol. Its IUPAC name is 4-[[4-[[4-(oxan-4-yloxy)-1,2-benzoxazol-3-yl]oxymethyl]piperidin-1-yl]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[4-[[4-(oxan-4-yloxy)-1,2-benzoxazol-3-yl]oxymethyl]piperidin-1-yl]methyl]oxan-4-ol
PubChem CID53357016
Molecular FormulaC24H34N2O6
Molecular Weight446.54 g/mol
Exact Mass446.24
IUPAC Name4-[[4-[[4-(oxan-4-yloxy)-1,2-benzoxazol-3-yl]oxymethyl]piperidin-1-yl]methyl]oxan-4-ol
SMILESOC1(CN2CCC(COc3noc4cccc(OC5CCOCC5)c34)CC2)CCOCC1
InChIInChI=1S/C24H34N2O6/c27-24(8-14-29-15-9-24)17-26-10-4-18(5-11-26)16-30-23-22-20(2-1-3-21(22)32-25-23)31-19-6-12-28-13-7-19/h1-3,18-19,27H,4-17H2
InChIKeyFXBISPPYROAIHZ-UHFFFAOYSA-N
XLogP3.02
TPSA86.42 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.54
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[[4-(oxan-4-yloxy)-1,2-benzoxazol-3-yl]oxymethyl]piperidin-1-yl]methyl]oxan-4-ol?
The IUPAC name of 4-[[4-[[4-(oxan-4-yloxy)-1,2-benzoxazol-3-yl]oxymethyl]piperidin-1-yl]methyl]oxan-4-ol (CID 53357016) is 4-[[4-[[4-(oxan-4-yloxy)-1,2-benzoxazol-3-yl]oxymethyl]piperidin-1-yl]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[4-[[4-(oxan-4-yloxy)-1,2-benzoxazol-3-yl]oxymethyl]piperidin-1-yl]methyl]oxan-4-ol?
The canonical SMILES for 4-[[4-[[4-(oxan-4-yloxy)-1,2-benzoxazol-3-yl]oxymethyl]piperidin-1-yl]methyl]oxan-4-ol is OC1(CN2CCC(COc3noc4cccc(OC5CCOCC5)c34)CC2)CCOCC1.
What is the InChIKey of 4-[[4-[[4-(oxan-4-yloxy)-1,2-benzoxazol-3-yl]oxymethyl]piperidin-1-yl]methyl]oxan-4-ol?
The InChIKey is FXBISPPYROAIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O6/c27-24(8-14-29-15-9-24)17-26-10-4-18(5-11-26)16-30-23-22-20(2-1-3-21(22)32-25-23)31-19-6-12-28-13-7-19/h1-3,18-19,27H,4-17H2.
What are the key properties of 4-[[4-[[4-(oxan-4-yloxy)-1,2-benzoxazol-3-yl]oxymethyl]piperidin-1-yl]methyl]oxan-4-ol?
4-[[4-[[4-(oxan-4-yloxy)-1,2-benzoxazol-3-yl]oxymethyl]piperidin-1-yl]methyl]oxan-4-ol has a molecular weight of 446.54 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[[4-(oxan-4-yloxy)-1,2-benzoxazol-3-yl]oxymethyl]piperidin-1-yl]methyl]oxan-4-ol is sourced from PubChem (CID 53357016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).