N-[[3-hydroxy-6-[[5-(piperazin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]-2-phenoxyacetamide

C23H32N4O5 — CID 162790170

IUPACN-[[3-hydroxy-6-[[5-(piperazin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NCC1OC(Cc2cc(CN3CCNCC3)on2)CCC1O
InChIInChI=1S/C23H32N4O5/c28-21-7-6-19(12-17-13-20(32-26-17)15-27-10-8-24-9-11-27)31-22(21)14-25-23(29)16-30-18-4-2-1-3-5-18/h1-5,13,19,21-22,24,28H,6-12,14-16H2,(H,25,29)
InChIKeyFQXNENRWCKUATN-UHFFFAOYSA-N
MW444.53 g/mol
LogP0.73
Rot. Bonds9

About N-[[3-hydroxy-6-[[5-(piperazin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]-2-phenoxyacetamide

N-[[3-hydroxy-6-[[5-(piperazin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]-2-phenoxyacetamide (PubChem CID 162790170) has the molecular formula C23H32N4O5 and a molecular weight of 444.53 g/mol. Its IUPAC name is N-[[3-hydroxy-6-[[5-(piperazin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[[3-hydroxy-6-[[5-(piperazin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]-2-phenoxyacetamide
PubChem CID162790170
Molecular FormulaC23H32N4O5
Molecular Weight444.53 g/mol
Exact Mass444.24
IUPAC NameN-[[3-hydroxy-6-[[5-(piperazin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NCC1OC(Cc2cc(CN3CCNCC3)on2)CCC1O
InChIInChI=1S/C23H32N4O5/c28-21-7-6-19(12-17-13-20(32-26-17)15-27-10-8-24-9-11-27)31-22(21)14-25-23(29)16-30-18-4-2-1-3-5-18/h1-5,13,19,21-22,24,28H,6-12,14-16H2,(H,25,29)
InChIKeyFQXNENRWCKUATN-UHFFFAOYSA-N
XLogP0.73
TPSA109.09 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.53
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[3-hydroxy-6-[[5-(piperazin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]-2-phenoxyacetamide?
The IUPAC name of N-[[3-hydroxy-6-[[5-(piperazin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]-2-phenoxyacetamide (CID 162790170) is N-[[3-hydroxy-6-[[5-(piperazin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[[3-hydroxy-6-[[5-(piperazin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]-2-phenoxyacetamide?
The canonical SMILES for N-[[3-hydroxy-6-[[5-(piperazin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]-2-phenoxyacetamide is O=C(COc1ccccc1)NCC1OC(Cc2cc(CN3CCNCC3)on2)CCC1O.
What is the InChIKey of N-[[3-hydroxy-6-[[5-(piperazin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]-2-phenoxyacetamide?
The InChIKey is FQXNENRWCKUATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O5/c28-21-7-6-19(12-17-13-20(32-26-17)15-27-10-8-24-9-11-27)31-22(21)14-25-23(29)16-30-18-4-2-1-3-5-18/h1-5,13,19,21-22,24,28H,6-12,14-16H2,(H,25,29).
What are the key properties of N-[[3-hydroxy-6-[[5-(piperazin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]-2-phenoxyacetamide?
N-[[3-hydroxy-6-[[5-(piperazin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]-2-phenoxyacetamide has a molecular weight of 444.53 g/mol, XLogP of 0.73, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-hydroxy-6-[[5-(piperazin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]-2-phenoxyacetamide is sourced from PubChem (CID 162790170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).