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

C16H22N2O2 — CID 22486175

IUPAC1-([1,3]oxazolo[4,5-b]pyridin-2-yl)decan-1-one
SMILESCCCCCCCCCC(=O)c1nc2ncccc2o1
InChIInChI=1S/C16H22N2O2/c1-2-3-4-5-6-7-8-10-13(19)16-18-15-14(20-16)11-9-12-17-15/h9,11-12H,2-8,10H2,1H3
InChIKeyZISOEDFMAVZYAD-UHFFFAOYSA-N
MW274.36 g/mol
LogP4.55
Rot. Bonds9

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

1-([1,3]oxazolo[4,5-b]pyridin-2-yl)decan-1-one (PubChem CID 22486175) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-([1,3]oxazolo[4,5-b]pyridin-2-yl)decan-1-one.

Molecular Properties

Compound Name1-([1,3]oxazolo[4,5-b]pyridin-2-yl)decan-1-one
PubChem CID22486175
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-([1,3]oxazolo[4,5-b]pyridin-2-yl)decan-1-one
SMILESCCCCCCCCCC(=O)c1nc2ncccc2o1
InChIInChI=1S/C16H22N2O2/c1-2-3-4-5-6-7-8-10-13(19)16-18-15-14(20-16)11-9-12-17-15/h9,11-12H,2-8,10H2,1H3
InChIKeyZISOEDFMAVZYAD-UHFFFAOYSA-N
XLogP4.55
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-([1,3]oxazolo[4,5-b]pyridin-2-yl)decan-1-one?
The IUPAC name of 1-([1,3]oxazolo[4,5-b]pyridin-2-yl)decan-1-one (CID 22486175) is 1-([1,3]oxazolo[4,5-b]pyridin-2-yl)decan-1-one.
What is the SMILES notation for 1-([1,3]oxazolo[4,5-b]pyridin-2-yl)decan-1-one?
The canonical SMILES for 1-([1,3]oxazolo[4,5-b]pyridin-2-yl)decan-1-one is CCCCCCCCCC(=O)c1nc2ncccc2o1.
What is the InChIKey of 1-([1,3]oxazolo[4,5-b]pyridin-2-yl)decan-1-one?
The InChIKey is ZISOEDFMAVZYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-2-3-4-5-6-7-8-10-13(19)16-18-15-14(20-16)11-9-12-17-15/h9,11-12H,2-8,10H2,1H3.
What are the key properties of 1-([1,3]oxazolo[4,5-b]pyridin-2-yl)decan-1-one?
1-([1,3]oxazolo[4,5-b]pyridin-2-yl)decan-1-one has a molecular weight of 274.36 g/mol, XLogP of 4.55, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-([1,3]oxazolo[4,5-b]pyridin-2-yl)decan-1-one is sourced from PubChem (CID 22486175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).