7-(3-methylphenyl)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)heptan-1-one

C22H24N2O2 — CID 16736619

IUPAC7-(3-methylphenyl)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)heptan-1-one
SMILESCc1cccc(CCCCCCC(=O)c2ncc(-c3ccccn3)o2)c1
InChIInChI=1S/C22H24N2O2/c1-17-9-8-11-18(15-17)10-4-2-3-5-13-20(25)22-24-16-21(26-22)19-12-6-7-14-23-19/h6-9,11-12,14-16H,2-5,10,13H2,1H3
InChIKeyYZPFUMWLNJIYQL-UHFFFAOYSA-N
MW348.45 g/mol
LogP5.42
Rot. Bonds9

About 7-(3-methylphenyl)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)heptan-1-one

7-(3-methylphenyl)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)heptan-1-one (PubChem CID 16736619) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 7-(3-methylphenyl)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)heptan-1-one.

Molecular Properties

Compound Name7-(3-methylphenyl)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)heptan-1-one
PubChem CID16736619
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name7-(3-methylphenyl)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)heptan-1-one
SMILESCc1cccc(CCCCCCC(=O)c2ncc(-c3ccccn3)o2)c1
InChIInChI=1S/C22H24N2O2/c1-17-9-8-11-18(15-17)10-4-2-3-5-13-20(25)22-24-16-21(26-22)19-12-6-7-14-23-19/h6-9,11-12,14-16H,2-5,10,13H2,1H3
InChIKeyYZPFUMWLNJIYQL-UHFFFAOYSA-N
XLogP5.42
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.45
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 7-(3-methylphenyl)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)heptan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(3-methylphenyl)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)heptan-1-one?
The IUPAC name of 7-(3-methylphenyl)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)heptan-1-one (CID 16736619) is 7-(3-methylphenyl)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)heptan-1-one.
What is the SMILES notation for 7-(3-methylphenyl)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)heptan-1-one?
The canonical SMILES for 7-(3-methylphenyl)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)heptan-1-one is Cc1cccc(CCCCCCC(=O)c2ncc(-c3ccccn3)o2)c1.
What is the InChIKey of 7-(3-methylphenyl)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)heptan-1-one?
The InChIKey is YZPFUMWLNJIYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-17-9-8-11-18(15-17)10-4-2-3-5-13-20(25)22-24-16-21(26-22)19-12-6-7-14-23-19/h6-9,11-12,14-16H,2-5,10,13H2,1H3.
What are the key properties of 7-(3-methylphenyl)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)heptan-1-one?
7-(3-methylphenyl)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)heptan-1-one has a molecular weight of 348.45 g/mol, XLogP of 5.42, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-methylphenyl)-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)heptan-1-one is sourced from PubChem (CID 16736619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).