1-([1,3]oxazolo[4,5-b]pyridin-2-yl)-7-phenylheptan-1-one

C19H20N2O2 — CID 11150976

IUPAC1-([1,3]oxazolo[4,5-b]pyridin-2-yl)-7-phenylheptan-1-one
SMILESO=C(CCCCCCc1ccccc1)c1nc2ncccc2o1
InChIInChI=1S/C19H20N2O2/c22-16(19-21-18-17(23-19)13-8-14-20-18)12-7-2-1-4-9-15-10-5-3-6-11-15/h3,5-6,8,10-11,13-14H,1-2,4,7,9,12H2
InChIKeyOVFUWDCWLWBDJD-UHFFFAOYSA-N
MW308.38 g/mol
LogP4.60
Rot. Bonds8

About 1-([1,3]oxazolo[4,5-b]pyridin-2-yl)-7-phenylheptan-1-one

1-([1,3]oxazolo[4,5-b]pyridin-2-yl)-7-phenylheptan-1-one (PubChem CID 11150976) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 1-([1,3]oxazolo[4,5-b]pyridin-2-yl)-7-phenylheptan-1-one.

Molecular Properties

Compound Name1-([1,3]oxazolo[4,5-b]pyridin-2-yl)-7-phenylheptan-1-one
PubChem CID11150976
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name1-([1,3]oxazolo[4,5-b]pyridin-2-yl)-7-phenylheptan-1-one
SMILESO=C(CCCCCCc1ccccc1)c1nc2ncccc2o1
InChIInChI=1S/C19H20N2O2/c22-16(19-21-18-17(23-19)13-8-14-20-18)12-7-2-1-4-9-15-10-5-3-6-11-15/h3,5-6,8,10-11,13-14H,1-2,4,7,9,12H2
InChIKeyOVFUWDCWLWBDJD-UHFFFAOYSA-N
XLogP4.60
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.60
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)-7-phenylheptan-1-one?
The IUPAC name of 1-([1,3]oxazolo[4,5-b]pyridin-2-yl)-7-phenylheptan-1-one (CID 11150976) is 1-([1,3]oxazolo[4,5-b]pyridin-2-yl)-7-phenylheptan-1-one.
What is the SMILES notation for 1-([1,3]oxazolo[4,5-b]pyridin-2-yl)-7-phenylheptan-1-one?
The canonical SMILES for 1-([1,3]oxazolo[4,5-b]pyridin-2-yl)-7-phenylheptan-1-one is O=C(CCCCCCc1ccccc1)c1nc2ncccc2o1.
What is the InChIKey of 1-([1,3]oxazolo[4,5-b]pyridin-2-yl)-7-phenylheptan-1-one?
The InChIKey is OVFUWDCWLWBDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c22-16(19-21-18-17(23-19)13-8-14-20-18)12-7-2-1-4-9-15-10-5-3-6-11-15/h3,5-6,8,10-11,13-14H,1-2,4,7,9,12H2.
What are the key properties of 1-([1,3]oxazolo[4,5-b]pyridin-2-yl)-7-phenylheptan-1-one?
1-([1,3]oxazolo[4,5-b]pyridin-2-yl)-7-phenylheptan-1-one has a molecular weight of 308.38 g/mol, XLogP of 4.60, 8 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)-7-phenylheptan-1-one is sourced from PubChem (CID 11150976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).