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

C17H22N2O2 — CID 11426192

IUPAC1-(5-pyridin-2-yl-1,3-oxazol-2-yl)nonan-1-one
SMILESCCCCCCCCC(=O)c1ncc(-c2ccccn2)o1
InChIInChI=1S/C17H22N2O2/c1-2-3-4-5-6-7-11-15(20)17-19-13-16(21-17)14-10-8-9-12-18-14/h8-10,12-13H,2-7,11H2,1H3
InChIKeyRYEVVZKCCJNESX-UHFFFAOYSA-N
MW286.37 g/mol
LogP4.67
Rot. Bonds9

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

1-(5-pyridin-2-yl-1,3-oxazol-2-yl)nonan-1-one (PubChem CID 11426192) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is 1-(5-pyridin-2-yl-1,3-oxazol-2-yl)nonan-1-one.

Molecular Properties

Compound Name1-(5-pyridin-2-yl-1,3-oxazol-2-yl)nonan-1-one
PubChem CID11426192
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Name1-(5-pyridin-2-yl-1,3-oxazol-2-yl)nonan-1-one
SMILESCCCCCCCCC(=O)c1ncc(-c2ccccn2)o1
InChIInChI=1S/C17H22N2O2/c1-2-3-4-5-6-7-11-15(20)17-19-13-16(21-17)14-10-8-9-12-18-14/h8-10,12-13H,2-7,11H2,1H3
InChIKeyRYEVVZKCCJNESX-UHFFFAOYSA-N
XLogP4.67
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 54.67
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

7-(2-methylphenyl)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)heptan-1-one
CID 16735381
1-(5-pyridin-2-yl-1,3-oxazol-2-yl)-7-[2-(trifluoromethyl)phenyl]heptan-1-one
CID 16736219
(Z)-1-[5-(furan-2-yl)-1,3-oxazol-2-yl]heptadec-8-en-1-one
CID 44589369
1-(5-phenyl-1,3-oxazol-2-yl)butan-1-one
CID 10943870
1-(5-pyridin-2-yl-1,3-oxazol-2-yl)prop-2-en-1-one
CID 66775639
1-pyridin-2-ylhexan-1-one
CID 556347
1-phenylheptadecan-1-one
CID 577626
7-phenyl-1-(5-phenyl-1,3-oxazol-2-yl)heptan-1-one
CID 11279040
1-pyridin-3-ylundecan-1-one
CID 19756112
1-(5-thiophen-3-yl-1,3-oxazol-2-yl)octadec-9-en-1-one
CID 85429246
1-pyridin-2-yldecan-2-one
CID 62622628
2,3-dihydro-1H-inden-2-yl-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone
CID 52951687

Frequently Asked Questions

What is the IUPAC name of 1-(5-pyridin-2-yl-1,3-oxazol-2-yl)nonan-1-one?
The IUPAC name of 1-(5-pyridin-2-yl-1,3-oxazol-2-yl)nonan-1-one (CID 11426192) is 1-(5-pyridin-2-yl-1,3-oxazol-2-yl)nonan-1-one.
What is the SMILES notation for 1-(5-pyridin-2-yl-1,3-oxazol-2-yl)nonan-1-one?
The canonical SMILES for 1-(5-pyridin-2-yl-1,3-oxazol-2-yl)nonan-1-one is CCCCCCCCC(=O)c1ncc(-c2ccccn2)o1.
What is the InChIKey of 1-(5-pyridin-2-yl-1,3-oxazol-2-yl)nonan-1-one?
The InChIKey is RYEVVZKCCJNESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-2-3-4-5-6-7-11-15(20)17-19-13-16(21-17)14-10-8-9-12-18-14/h8-10,12-13H,2-7,11H2,1H3.
What are the key properties of 1-(5-pyridin-2-yl-1,3-oxazol-2-yl)nonan-1-one?
1-(5-pyridin-2-yl-1,3-oxazol-2-yl)nonan-1-one has a molecular weight of 286.37 g/mol, XLogP of 4.67, 9 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)nonan-1-one is sourced from PubChem (CID 11426192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).