7-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-1-(1,2-oxazol-3-yl)heptan-1-one

C19H19FN2O3 — CID 146336525

IUPAC7-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-1-(1,2-oxazol-3-yl)heptan-1-one
SMILESO=C(CCCCCCc1cc(-c2ccccc2F)on1)c1ccon1
InChIInChI=1S/C19H19FN2O3/c20-16-9-6-5-8-15(16)19-13-14(21-25-19)7-3-1-2-4-10-18(23)17-11-12-24-22-17/h5-6,8-9,11-13H,1-4,7,10H2
InChIKeyCKHCRUPIELREBI-UHFFFAOYSA-N
MW342.37 g/mol
LogP4.84
Rot. Bonds9

About 7-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-1-(1,2-oxazol-3-yl)heptan-1-one

7-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-1-(1,2-oxazol-3-yl)heptan-1-one (PubChem CID 146336525) has the molecular formula C19H19FN2O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is 7-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-1-(1,2-oxazol-3-yl)heptan-1-one.

Molecular Properties

Compound Name7-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-1-(1,2-oxazol-3-yl)heptan-1-one
PubChem CID146336525
Molecular FormulaC19H19FN2O3
Molecular Weight342.37 g/mol
Exact Mass342.14
IUPAC Name7-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-1-(1,2-oxazol-3-yl)heptan-1-one
SMILESO=C(CCCCCCc1cc(-c2ccccc2F)on1)c1ccon1
InChIInChI=1S/C19H19FN2O3/c20-16-9-6-5-8-15(16)19-13-14(21-25-19)7-3-1-2-4-10-18(23)17-11-12-24-22-17/h5-6,8-9,11-13H,1-4,7,10H2
InChIKeyCKHCRUPIELREBI-UHFFFAOYSA-N
XLogP4.84
TPSA69.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3,5-Diphenylisoxazole
CID 137292
3-Methyl-5-phenylisoxazole
CID 136804
Phenyl(5-phenyl-1,2-oxazol-3-yl)methanone
CID 346489
3-Benzyl-5-phenylisoxazole
CID 849566
(7S)-7-amino-7-[5-(2-fluorophenyl)isoxazol-3-yl]-1-isoxazol-3-yl-heptan-1-one
CID 155925380
5-(4-Fluorophenyl)isoxazole-3-carboxaldehyde
CID 16217813
5-(4-Methylphenyl)isoxazole-3-carboxaldehyde
CID 16217817
5-Phenyl-1,2-oxazole-3-carboxamide
CID 541773
Mls003106409
CID 290588
5-Phenyl-3-(trifluoromethyl)-1,2-oxazole
CID 12371357
3-(4-Fluorophenyl)-5-phenylisoxazole
CID 14224921
5-Phenylisoxazole-3-carboxaldehyde
CID 7172305

Frequently Asked Questions

What is the IUPAC name of 7-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-1-(1,2-oxazol-3-yl)heptan-1-one?
The IUPAC name of 7-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-1-(1,2-oxazol-3-yl)heptan-1-one (CID 146336525) is 7-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-1-(1,2-oxazol-3-yl)heptan-1-one.
What is the SMILES notation for 7-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-1-(1,2-oxazol-3-yl)heptan-1-one?
The canonical SMILES for 7-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-1-(1,2-oxazol-3-yl)heptan-1-one is O=C(CCCCCCc1cc(-c2ccccc2F)on1)c1ccon1.
What is the InChIKey of 7-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-1-(1,2-oxazol-3-yl)heptan-1-one?
The InChIKey is CKHCRUPIELREBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O3/c20-16-9-6-5-8-15(16)19-13-14(21-25-19)7-3-1-2-4-10-18(23)17-11-12-24-22-17/h5-6,8-9,11-13H,1-4,7,10H2.
What are the key properties of 7-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-1-(1,2-oxazol-3-yl)heptan-1-one?
7-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-1-(1,2-oxazol-3-yl)heptan-1-one has a molecular weight of 342.37 g/mol, XLogP of 4.84, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-1-(1,2-oxazol-3-yl)heptan-1-one is sourced from PubChem (CID 146336525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).