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

C14H18N2O2 — CID 22486174

IUPAC1-([1,3]oxazolo[4,5-b]pyridin-2-yl)octan-1-one
SMILESCCCCCCCC(=O)c1nc2ncccc2o1
InChIInChI=1S/C14H18N2O2/c1-2-3-4-5-6-8-11(17)14-16-13-12(18-14)9-7-10-15-13/h7,9-10H,2-6,8H2,1H3
InChIKeyHTWHWGPGIJSJQP-UHFFFAOYSA-N
MW246.31 g/mol
LogP3.77
Rot. Bonds7

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

1-([1,3]oxazolo[4,5-b]pyridin-2-yl)octan-1-one (PubChem CID 22486174) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-([1,3]oxazolo[4,5-b]pyridin-2-yl)octan-1-one.

Molecular Properties

Compound Name1-([1,3]oxazolo[4,5-b]pyridin-2-yl)octan-1-one
PubChem CID22486174
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name1-([1,3]oxazolo[4,5-b]pyridin-2-yl)octan-1-one
SMILESCCCCCCCC(=O)c1nc2ncccc2o1
InChIInChI=1S/C14H18N2O2/c1-2-3-4-5-6-8-11(17)14-16-13-12(18-14)9-7-10-15-13/h7,9-10H,2-6,8H2,1H3
InChIKeyHTWHWGPGIJSJQP-UHFFFAOYSA-N
XLogP3.77
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.77
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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Related Compounds

4-(Oxazolo[4,5-b]pyridin-2-yl)aniline
CID 486277
1-Oxazolo(4,5-b)pyridin-2-yl-6-phenyl-1-hexanone
CID 10085812
1-Heptanone, 1-oxazolo[4,5-b]pyridin-2-yl-7-phenyl-
CID 11150976
3-[4-(Benzyloxy)phenyl]-1-{pyrido[2,3-d][1,3]oxazol-2-yl}propan-1-one
CID 16736010
1-[6-(4-Methylphenyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]-6-phenylhexan-1-one
CID 122390213
3-(Oxazolo[4,5-b]pyridin-2-yl)aniline
CID 611086
2-methyl-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]propanamide
CID 694846
Oxazolo(4,5-b)pyridine, 2-(2-fluorophenyl)-
CID 1971814
1-Oxazolo[4,5-B]pyridin-2-YL-1-dodecanone
CID 9972176
1-Oxazolo(4,5-b)pyridin-2-yl-octadec-9-yn-1-one
CID 9977214
1-[1,3]Oxazolo[4,5-b]pyridin-2-yldecan-1-one
CID 22486175
1-(Oxazolo[4,5-b]pyridin-2-yl)-8-phenyloctan-1-one
CID 22486206

Frequently Asked Questions

What is the IUPAC name of 1-([1,3]oxazolo[4,5-b]pyridin-2-yl)octan-1-one?
The IUPAC name of 1-([1,3]oxazolo[4,5-b]pyridin-2-yl)octan-1-one (CID 22486174) is 1-([1,3]oxazolo[4,5-b]pyridin-2-yl)octan-1-one.
What is the SMILES notation for 1-([1,3]oxazolo[4,5-b]pyridin-2-yl)octan-1-one?
The canonical SMILES for 1-([1,3]oxazolo[4,5-b]pyridin-2-yl)octan-1-one is CCCCCCCC(=O)c1nc2ncccc2o1.
What is the InChIKey of 1-([1,3]oxazolo[4,5-b]pyridin-2-yl)octan-1-one?
The InChIKey is HTWHWGPGIJSJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-2-3-4-5-6-8-11(17)14-16-13-12(18-14)9-7-10-15-13/h7,9-10H,2-6,8H2,1H3.
What are the key properties of 1-([1,3]oxazolo[4,5-b]pyridin-2-yl)octan-1-one?
1-([1,3]oxazolo[4,5-b]pyridin-2-yl)octan-1-one has a molecular weight of 246.31 g/mol, XLogP of 3.77, 7 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)octan-1-one is sourced from PubChem (CID 22486174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).