4-(pyridin-2-ylmethyl)-2H-[1,3]oxazolo[4,5-b]pyridin-2-ol

C12H11N3O2 — CID 126629243

IUPAC4-(pyridin-2-ylmethyl)-2H-[1,3]oxazolo[4,5-b]pyridin-2-ol
SMILESOC1N=C2C(=CC=CN2Cc2ccccn2)O1
InChIInChI=1S/C12H11N3O2/c16-12-14-11-10(17-12)5-3-7-15(11)8-9-4-1-2-6-13-9/h1-7,12,16H,8H2
InChIKeyXRJYIPIKZZUCED-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.00
Rot. Bonds2

About 4-(pyridin-2-ylmethyl)-2H-[1,3]oxazolo[4,5-b]pyridin-2-ol

4-(pyridin-2-ylmethyl)-2H-[1,3]oxazolo[4,5-b]pyridin-2-ol (PubChem CID 126629243) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is 4-(pyridin-2-ylmethyl)-2H-[1,3]oxazolo[4,5-b]pyridin-2-ol.

Molecular Properties

Compound Name4-(pyridin-2-ylmethyl)-2H-[1,3]oxazolo[4,5-b]pyridin-2-ol
PubChem CID126629243
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Name4-(pyridin-2-ylmethyl)-2H-[1,3]oxazolo[4,5-b]pyridin-2-ol
SMILESOC1N=C2C(=CC=CN2Cc2ccccn2)O1
InChIInChI=1S/C12H11N3O2/c16-12-14-11-10(17-12)5-3-7-15(11)8-9-4-1-2-6-13-9/h1-7,12,16H,8H2
InChIKeyXRJYIPIKZZUCED-UHFFFAOYSA-N
XLogP1.00
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(pyridin-2-ylmethyl)pyrrolidine-3,4-diol
CID 106672943
CID 102140339
CID 102140339
(6R)-4-(pyridin-2-ylmethyl)-1,4-oxazepan-6-ol
CID 75367760
(1S,2R)-3-(pyridin-2-ylmethyl)cyclohexa-3,5-diene-1,2-diol
CID 101216892
CID 102253209
CID 102253209
5-methyl-3-(pyridin-2-ylmethyl)-6-sulfanyl-1,6-dihydropyrimidin-2-one
CID 141028917
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]cyclopropanecarboxamide
CID 37476276
2-[2-oxo-3-(pyridin-2-ylmethyl)-1,3-oxazinan-6-yl]acetic acid
CID 117011050
2-[(2-ethylazetidin-1-yl)methyl]pyridine
CID 130678024
bis(2-(pyridin-2-ylmethyl)-1,3,4,6-tetrahydropyrido[1,2-a]pyrazin-4-ol);dihydrochloride
CID 173003527
pyridin-2-ylmethanol;vanadium
CID 176962038
2-(chloromethyl)pyridine;hydron;chloride
CID 67269716

Frequently Asked Questions

What is the IUPAC name of 4-(pyridin-2-ylmethyl)-2H-[1,3]oxazolo[4,5-b]pyridin-2-ol?
The IUPAC name of 4-(pyridin-2-ylmethyl)-2H-[1,3]oxazolo[4,5-b]pyridin-2-ol (CID 126629243) is 4-(pyridin-2-ylmethyl)-2H-[1,3]oxazolo[4,5-b]pyridin-2-ol.
What is the SMILES notation for 4-(pyridin-2-ylmethyl)-2H-[1,3]oxazolo[4,5-b]pyridin-2-ol?
The canonical SMILES for 4-(pyridin-2-ylmethyl)-2H-[1,3]oxazolo[4,5-b]pyridin-2-ol is OC1N=C2C(=CC=CN2Cc2ccccn2)O1.
What is the InChIKey of 4-(pyridin-2-ylmethyl)-2H-[1,3]oxazolo[4,5-b]pyridin-2-ol?
The InChIKey is XRJYIPIKZZUCED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c16-12-14-11-10(17-12)5-3-7-15(11)8-9-4-1-2-6-13-9/h1-7,12,16H,8H2.
What are the key properties of 4-(pyridin-2-ylmethyl)-2H-[1,3]oxazolo[4,5-b]pyridin-2-ol?
4-(pyridin-2-ylmethyl)-2H-[1,3]oxazolo[4,5-b]pyridin-2-ol has a molecular weight of 229.24 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyridin-2-ylmethyl)-2H-[1,3]oxazolo[4,5-b]pyridin-2-ol is sourced from PubChem (CID 126629243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).