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

C11H12N2O3 — CID 66559053

IUPAC4-(oxolan-3-ylmethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESO=c1nc2n(CC3CCOC3)cccc-2o1
InChIInChI=1S/C11H12N2O3/c14-11-12-10-9(16-11)2-1-4-13(10)6-8-3-5-15-7-8/h1-2,4,8H,3,5-7H2
InChIKeyAAHDAJMTJKVCSR-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.98
Rot. Bonds2

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

4-(oxolan-3-ylmethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one (PubChem CID 66559053) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 4-(oxolan-3-ylmethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name4-(oxolan-3-ylmethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one
PubChem CID66559053
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name4-(oxolan-3-ylmethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESO=c1nc2n(CC3CCOC3)cccc-2o1
InChIInChI=1S/C11H12N2O3/c14-11-12-10-9(16-11)2-1-4-13(10)6-8-3-5-15-7-8/h1-2,4,8H,3,5-7H2
InChIKeyAAHDAJMTJKVCSR-UHFFFAOYSA-N
XLogP0.98
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-3-ylmethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one?
The IUPAC name of 4-(oxolan-3-ylmethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one (CID 66559053) is 4-(oxolan-3-ylmethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one.
What is the SMILES notation for 4-(oxolan-3-ylmethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one?
The canonical SMILES for 4-(oxolan-3-ylmethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one is O=c1nc2n(CC3CCOC3)cccc-2o1.
What is the InChIKey of 4-(oxolan-3-ylmethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one?
The InChIKey is AAHDAJMTJKVCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c14-11-12-10-9(16-11)2-1-4-13(10)6-8-3-5-15-7-8/h1-2,4,8H,3,5-7H2.
What are the key properties of 4-(oxolan-3-ylmethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one?
4-(oxolan-3-ylmethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one has a molecular weight of 220.23 g/mol, XLogP of 0.98, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-3-ylmethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one is sourced from PubChem (CID 66559053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).