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

C12H9N3O2 — CID 75509161

IUPAC3-(pyridin-2-ylmethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESO=c1oc2cccnc2n1Cc1ccccn1
InChIInChI=1S/C12H9N3O2/c16-12-15(8-9-4-1-2-6-13-9)11-10(17-12)5-3-7-14-11/h1-7H,8H2
InChIKeyHUVBFSQUZGAKPE-UHFFFAOYSA-N
MW227.22 g/mol
LogP1.43
Rot. Bonds2

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

3-(pyridin-2-ylmethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one (PubChem CID 75509161) has the molecular formula C12H9N3O2 and a molecular weight of 227.22 g/mol. Its IUPAC name is 3-(pyridin-2-ylmethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name3-(pyridin-2-ylmethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one
PubChem CID75509161
Molecular FormulaC12H9N3O2
Molecular Weight227.22 g/mol
Exact Mass227.07
IUPAC Name3-(pyridin-2-ylmethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESO=c1oc2cccnc2n1Cc1ccccn1
InChIInChI=1S/C12H9N3O2/c16-12-15(8-9-4-1-2-6-13-9)11-10(17-12)5-3-7-14-11/h1-7H,8H2
InChIKeyHUVBFSQUZGAKPE-UHFFFAOYSA-N
XLogP1.43
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[4-(hydroxymethyl)phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 110006022
3-[[5-(methylamino)pyrazin-2-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 103057431
3-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 71973389
1-bromobutane;1-(pyridin-2-ylmethyl)pyrido[2,3-d][1,3]oxazine-2,4-dione
CID 161335663
3-pent-4-ynyl-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 115872228
3-[[2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 97031258
7-(pyridin-2-ylmethoxy)-3-(pyridin-2-ylmethyl)-1,3-benzoxazine-2,4-dione
CID 71538841
5-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)pentanamide
CID 66921889
3-(2-morpholin-4-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 3072034
2-fluoro-4-[(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)methyl]benzoic acid
CID 106698884
3-amino-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 123413936
3-[(4-bromo-3-nitrophenyl)methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 115557909

Frequently Asked Questions

What is the IUPAC name of 3-(pyridin-2-ylmethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one?
The IUPAC name of 3-(pyridin-2-ylmethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one (CID 75509161) is 3-(pyridin-2-ylmethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one.
What is the SMILES notation for 3-(pyridin-2-ylmethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one?
The canonical SMILES for 3-(pyridin-2-ylmethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one is O=c1oc2cccnc2n1Cc1ccccn1.
What is the InChIKey of 3-(pyridin-2-ylmethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one?
The InChIKey is HUVBFSQUZGAKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O2/c16-12-15(8-9-4-1-2-6-13-9)11-10(17-12)5-3-7-14-11/h1-7H,8H2.
What are the key properties of 3-(pyridin-2-ylmethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one?
3-(pyridin-2-ylmethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one has a molecular weight of 227.22 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyridin-2-ylmethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one is sourced from PubChem (CID 75509161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).