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

C22H23NO2 — CID 11279040

IUPAC7-phenyl-1-(5-phenyl-1,3-oxazol-2-yl)heptan-1-one
SMILESO=C(CCCCCCc1ccccc1)c1ncc(-c2ccccc2)o1
InChIInChI=1S/C22H23NO2/c24-20(16-10-2-1-5-11-18-12-6-3-7-13-18)22-23-17-21(25-22)19-14-8-4-9-15-19/h3-4,6-9,12-15,17H,1-2,5,10-11,16H2
InChIKeyGEHXWVPLQWJJQM-UHFFFAOYSA-N
MW333.43 g/mol
LogP5.72
Rot. Bonds9

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

7-phenyl-1-(5-phenyl-1,3-oxazol-2-yl)heptan-1-one (PubChem CID 11279040) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is 7-phenyl-1-(5-phenyl-1,3-oxazol-2-yl)heptan-1-one.

Molecular Properties

Compound Name7-phenyl-1-(5-phenyl-1,3-oxazol-2-yl)heptan-1-one
PubChem CID11279040
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC Name7-phenyl-1-(5-phenyl-1,3-oxazol-2-yl)heptan-1-one
SMILESO=C(CCCCCCc1ccccc1)c1ncc(-c2ccccc2)o1
InChIInChI=1S/C22H23NO2/c24-20(16-10-2-1-5-11-18-12-6-3-7-13-18)22-23-17-21(25-22)19-14-8-4-9-15-19/h3-4,6-9,12-15,17H,1-2,5,10-11,16H2
InChIKeyGEHXWVPLQWJJQM-UHFFFAOYSA-N
XLogP5.72
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.43
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 7-phenyl-1-(5-phenyl-1,3-oxazol-2-yl)heptan-1-one?
The IUPAC name of 7-phenyl-1-(5-phenyl-1,3-oxazol-2-yl)heptan-1-one (CID 11279040) is 7-phenyl-1-(5-phenyl-1,3-oxazol-2-yl)heptan-1-one.
What is the SMILES notation for 7-phenyl-1-(5-phenyl-1,3-oxazol-2-yl)heptan-1-one?
The canonical SMILES for 7-phenyl-1-(5-phenyl-1,3-oxazol-2-yl)heptan-1-one is O=C(CCCCCCc1ccccc1)c1ncc(-c2ccccc2)o1.
What is the InChIKey of 7-phenyl-1-(5-phenyl-1,3-oxazol-2-yl)heptan-1-one?
The InChIKey is GEHXWVPLQWJJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2/c24-20(16-10-2-1-5-11-18-12-6-3-7-13-18)22-23-17-21(25-22)19-14-8-4-9-15-19/h3-4,6-9,12-15,17H,1-2,5,10-11,16H2.
What are the key properties of 7-phenyl-1-(5-phenyl-1,3-oxazol-2-yl)heptan-1-one?
7-phenyl-1-(5-phenyl-1,3-oxazol-2-yl)heptan-1-one has a molecular weight of 333.43 g/mol, XLogP of 5.72, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-1-(5-phenyl-1,3-oxazol-2-yl)heptan-1-one is sourced from PubChem (CID 11279040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).