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

C22H34N2O2 — CID 22486172

IUPAC1-([1,3]oxazolo[4,5-b]pyridin-2-yl)hexadecan-1-one
SMILESCCCCCCCCCCCCCCCC(=O)c1nc2ncccc2o1
InChIInChI=1S/C22H34N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(25)22-24-21-20(26-22)17-15-18-23-21/h15,17-18H,2-14,16H2,1H3
InChIKeyOQEBMASMRJFLDH-UHFFFAOYSA-N
MW358.53 g/mol
LogP6.89
Rot. Bonds15

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

1-([1,3]oxazolo[4,5-b]pyridin-2-yl)hexadecan-1-one (PubChem CID 22486172) has the molecular formula C22H34N2O2 and a molecular weight of 358.53 g/mol. Its IUPAC name is 1-([1,3]oxazolo[4,5-b]pyridin-2-yl)hexadecan-1-one.

Molecular Properties

Compound Name1-([1,3]oxazolo[4,5-b]pyridin-2-yl)hexadecan-1-one
PubChem CID22486172
Molecular FormulaC22H34N2O2
Molecular Weight358.53 g/mol
Exact Mass358.26
IUPAC Name1-([1,3]oxazolo[4,5-b]pyridin-2-yl)hexadecan-1-one
SMILESCCCCCCCCCCCCCCCC(=O)c1nc2ncccc2o1
InChIInChI=1S/C22H34N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(25)22-24-21-20(26-22)17-15-18-23-21/h15,17-18H,2-14,16H2,1H3
InChIKeyOQEBMASMRJFLDH-UHFFFAOYSA-N
XLogP6.89
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.53
LogP ≤ 56.89
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-yloctan-1-one
CID 22486174
1-[1,3]Oxazolo[4,5-b]pyridin-2-yldecan-1-one
CID 22486175

Frequently Asked Questions

What is the IUPAC name of 1-([1,3]oxazolo[4,5-b]pyridin-2-yl)hexadecan-1-one?
The IUPAC name of 1-([1,3]oxazolo[4,5-b]pyridin-2-yl)hexadecan-1-one (CID 22486172) is 1-([1,3]oxazolo[4,5-b]pyridin-2-yl)hexadecan-1-one.
What is the SMILES notation for 1-([1,3]oxazolo[4,5-b]pyridin-2-yl)hexadecan-1-one?
The canonical SMILES for 1-([1,3]oxazolo[4,5-b]pyridin-2-yl)hexadecan-1-one is CCCCCCCCCCCCCCCC(=O)c1nc2ncccc2o1.
What is the InChIKey of 1-([1,3]oxazolo[4,5-b]pyridin-2-yl)hexadecan-1-one?
The InChIKey is OQEBMASMRJFLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(25)22-24-21-20(26-22)17-15-18-23-21/h15,17-18H,2-14,16H2,1H3.
What are the key properties of 1-([1,3]oxazolo[4,5-b]pyridin-2-yl)hexadecan-1-one?
1-([1,3]oxazolo[4,5-b]pyridin-2-yl)hexadecan-1-one has a molecular weight of 358.53 g/mol, XLogP of 6.89, 15 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)hexadecan-1-one is sourced from PubChem (CID 22486172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).