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

C13H17N3O2 — CID 3072032

IUPAC3-(2-piperidin-1-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESO=c1oc2cccnc2n1CCN1CCCCC1
InChIInChI=1S/C13H17N3O2/c17-13-16(10-9-15-7-2-1-3-8-15)12-11(18-13)5-4-6-14-12/h4-6H,1-3,7-10H2
InChIKeyBRJJFTOVFYBYMP-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.48
Rot. Bonds3

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

3-(2-piperidin-1-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one (PubChem CID 3072032) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 3-(2-piperidin-1-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name3-(2-piperidin-1-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one
PubChem CID3072032
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name3-(2-piperidin-1-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESO=c1oc2cccnc2n1CCN1CCCCC1
InChIInChI=1S/C13H17N3O2/c17-13-16(10-9-15-7-2-1-3-8-15)12-11(18-13)5-4-6-14-12/h4-6H,1-3,7-10H2
InChIKeyBRJJFTOVFYBYMP-UHFFFAOYSA-N
XLogP1.48
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-piperidin-1-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one?
The IUPAC name of 3-(2-piperidin-1-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one (CID 3072032) is 3-(2-piperidin-1-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one.
What is the SMILES notation for 3-(2-piperidin-1-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one?
The canonical SMILES for 3-(2-piperidin-1-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one is O=c1oc2cccnc2n1CCN1CCCCC1.
What is the InChIKey of 3-(2-piperidin-1-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one?
The InChIKey is BRJJFTOVFYBYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c17-13-16(10-9-15-7-2-1-3-8-15)12-11(18-13)5-4-6-14-12/h4-6H,1-3,7-10H2.
What are the key properties of 3-(2-piperidin-1-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one?
3-(2-piperidin-1-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one has a molecular weight of 247.30 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-piperidin-1-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one is sourced from PubChem (CID 3072032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).