1-(5-pyridin-2-yl-1,3-oxazol-2-yl)octan-1-one

C16H20N2O2 — CID 11173328

IUPAC1-(5-pyridin-2-yl-1,3-oxazol-2-yl)octan-1-one
SMILESCCCCCCCC(=O)c1ncc(-c2ccccn2)o1
InChIInChI=1S/C16H20N2O2/c1-2-3-4-5-6-10-14(19)16-18-12-15(20-16)13-9-7-8-11-17-13/h7-9,11-12H,2-6,10H2,1H3
InChIKeyVLJKBQYNIDBQEJ-UHFFFAOYSA-N
MW272.35 g/mol
LogP4.28
Rot. Bonds8

About 1-(5-pyridin-2-yl-1,3-oxazol-2-yl)octan-1-one

1-(5-pyridin-2-yl-1,3-oxazol-2-yl)octan-1-one (PubChem CID 11173328) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-(5-pyridin-2-yl-1,3-oxazol-2-yl)octan-1-one.

Molecular Properties

Compound Name1-(5-pyridin-2-yl-1,3-oxazol-2-yl)octan-1-one
PubChem CID11173328
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1-(5-pyridin-2-yl-1,3-oxazol-2-yl)octan-1-one
SMILESCCCCCCCC(=O)c1ncc(-c2ccccn2)o1
InChIInChI=1S/C16H20N2O2/c1-2-3-4-5-6-10-14(19)16-18-12-15(20-16)13-9-7-8-11-17-13/h7-9,11-12H,2-6,10H2,1H3
InChIKeyVLJKBQYNIDBQEJ-UHFFFAOYSA-N
XLogP4.28
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 54.28
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-(5-pyridin-2-yl-1,3-oxazol-2-yl)octan-1-one?
The IUPAC name of 1-(5-pyridin-2-yl-1,3-oxazol-2-yl)octan-1-one (CID 11173328) is 1-(5-pyridin-2-yl-1,3-oxazol-2-yl)octan-1-one.
What is the SMILES notation for 1-(5-pyridin-2-yl-1,3-oxazol-2-yl)octan-1-one?
The canonical SMILES for 1-(5-pyridin-2-yl-1,3-oxazol-2-yl)octan-1-one is CCCCCCCC(=O)c1ncc(-c2ccccn2)o1.
What is the InChIKey of 1-(5-pyridin-2-yl-1,3-oxazol-2-yl)octan-1-one?
The InChIKey is VLJKBQYNIDBQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-2-3-4-5-6-10-14(19)16-18-12-15(20-16)13-9-7-8-11-17-13/h7-9,11-12H,2-6,10H2,1H3.
What are the key properties of 1-(5-pyridin-2-yl-1,3-oxazol-2-yl)octan-1-one?
1-(5-pyridin-2-yl-1,3-oxazol-2-yl)octan-1-one has a molecular weight of 272.35 g/mol, XLogP of 4.28, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-pyridin-2-yl-1,3-oxazol-2-yl)octan-1-one is sourced from PubChem (CID 11173328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).