(2S)-2-(hydroxymethyl)-6-[3-(pyrazin-2-ylmethyl)phenyl]oxan-4-ol

C17H20N2O3 — CID 118696548

IUPAC(2S)-2-(hydroxymethyl)-6-[3-(pyrazin-2-ylmethyl)phenyl]oxan-4-ol
SMILESOC[C@@H]1CC(O)CC(c2cccc(Cc3cnccn3)c2)O1
InChIInChI=1S/C17H20N2O3/c20-11-16-8-15(21)9-17(22-16)13-3-1-2-12(6-13)7-14-10-18-4-5-19-14/h1-6,10,15-17,20-21H,7-9,11H2/t15?,16-,17?/m0/s1
InChIKeyUFGZLGGZOXTPFL-CGZBRXJRSA-N
MW300.36 g/mol
LogP1.64
Rot. Bonds4

About (2S)-2-(hydroxymethyl)-6-[3-(pyrazin-2-ylmethyl)phenyl]oxan-4-ol

(2S)-2-(hydroxymethyl)-6-[3-(pyrazin-2-ylmethyl)phenyl]oxan-4-ol (PubChem CID 118696548) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is (2S)-2-(hydroxymethyl)-6-[3-(pyrazin-2-ylmethyl)phenyl]oxan-4-ol.

Molecular Properties

Compound Name(2S)-2-(hydroxymethyl)-6-[3-(pyrazin-2-ylmethyl)phenyl]oxan-4-ol
PubChem CID118696548
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name(2S)-2-(hydroxymethyl)-6-[3-(pyrazin-2-ylmethyl)phenyl]oxan-4-ol
SMILESOC[C@@H]1CC(O)CC(c2cccc(Cc3cnccn3)c2)O1
InChIInChI=1S/C17H20N2O3/c20-11-16-8-15(21)9-17(22-16)13-3-1-2-12(6-13)7-14-10-18-4-5-19-14/h1-6,10,15-17,20-21H,7-9,11H2/t15?,16-,17?/m0/s1
InChIKeyUFGZLGGZOXTPFL-CGZBRXJRSA-N
XLogP1.64
TPSA75.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(hydroxymethyl)-6-[3-(pyrazin-2-ylmethyl)phenyl]oxan-4-ol?
The IUPAC name of (2S)-2-(hydroxymethyl)-6-[3-(pyrazin-2-ylmethyl)phenyl]oxan-4-ol (CID 118696548) is (2S)-2-(hydroxymethyl)-6-[3-(pyrazin-2-ylmethyl)phenyl]oxan-4-ol.
What is the SMILES notation for (2S)-2-(hydroxymethyl)-6-[3-(pyrazin-2-ylmethyl)phenyl]oxan-4-ol?
The canonical SMILES for (2S)-2-(hydroxymethyl)-6-[3-(pyrazin-2-ylmethyl)phenyl]oxan-4-ol is OC[C@@H]1CC(O)CC(c2cccc(Cc3cnccn3)c2)O1.
What is the InChIKey of (2S)-2-(hydroxymethyl)-6-[3-(pyrazin-2-ylmethyl)phenyl]oxan-4-ol?
The InChIKey is UFGZLGGZOXTPFL-CGZBRXJRSA-N. The full InChI is InChI=1S/C17H20N2O3/c20-11-16-8-15(21)9-17(22-16)13-3-1-2-12(6-13)7-14-10-18-4-5-19-14/h1-6,10,15-17,20-21H,7-9,11H2/t15?,16-,17?/m0/s1.
What are the key properties of (2S)-2-(hydroxymethyl)-6-[3-(pyrazin-2-ylmethyl)phenyl]oxan-4-ol?
(2S)-2-(hydroxymethyl)-6-[3-(pyrazin-2-ylmethyl)phenyl]oxan-4-ol has a molecular weight of 300.36 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(hydroxymethyl)-6-[3-(pyrazin-2-ylmethyl)phenyl]oxan-4-ol is sourced from PubChem (CID 118696548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).