5-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]-1-(4-fluorophenyl)pentan-1-one

C20H20FNO3 — CID 513072

IUPAC5-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]-1-(4-fluorophenyl)pentan-1-one
SMILESO=C(CCCCOc1ccc(C2=NCCO2)cc1)c1ccc(F)cc1
InChIInChI=1S/C20H20FNO3/c21-17-8-4-15(5-9-17)19(23)3-1-2-13-24-18-10-6-16(7-11-18)20-22-12-14-25-20/h4-11H,1-3,12-14H2
InChIKeyIBRKEZWTRQYMAV-UHFFFAOYSA-N
MW341.38 g/mol
LogP4.03
Rot. Bonds8

About 5-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]-1-(4-fluorophenyl)pentan-1-one

5-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]-1-(4-fluorophenyl)pentan-1-one (PubChem CID 513072) has the molecular formula C20H20FNO3 and a molecular weight of 341.38 g/mol. Its IUPAC name is 5-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]-1-(4-fluorophenyl)pentan-1-one.

Molecular Properties

Compound Name5-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]-1-(4-fluorophenyl)pentan-1-one
PubChem CID513072
Molecular FormulaC20H20FNO3
Molecular Weight341.38 g/mol
Exact Mass341.14
IUPAC Name5-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]-1-(4-fluorophenyl)pentan-1-one
SMILESO=C(CCCCOc1ccc(C2=NCCO2)cc1)c1ccc(F)cc1
InChIInChI=1S/C20H20FNO3/c21-17-8-4-15(5-9-17)19(23)3-1-2-13-24-18-10-6-16(7-11-18)20-22-12-14-25-20/h4-11H,1-3,12-14H2
InChIKeyIBRKEZWTRQYMAV-UHFFFAOYSA-N
XLogP4.03
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 54.03
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

1-[5-[5-[4-(4,5-Dihydrooxazol-2-yl)phenoxy]pentyl]-2-furyl]ethanone
CID 5273082
[4-[2-(Diethylamino)ethoxy]phenyl]phenylmethanone
CID 69931
{4-[6-(Allyl-methyl-amino)-hexyloxy]-phenyl}-(4-fluoro-phenyl)-methanone; hydrochloride
CID 11014097
1-(4,5-Dihydro-1,3-oxazol-2-yl)-7-(4-phenylphenoxy)heptan-1-one
CID 44350633
1-[4-[2-(Dimethylamino)ethoxy]phenyl]-4-methyl-2-phenylpentan-1-one
CID 132183376
Phenyl-[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanone
CID 803072
1-(4-(2-Dimethylamino)-2-ethoxyphenyl butanone
CID 9861546
(4-(2-(Dimethylamino)ethoxy)phenyl)(phenyl)methanone
CID 11086807
1-[4-[2-(Dimethylamino)ethoxy]phenyl]-5-methyl-2-phenylhexan-1-one
CID 132183365
1-[4-[2-(Dimethylamino)ethoxy]phenyl]-3-methyl-2-phenylbutan-1-one
CID 132183878
Dietifen
CID 208834
(E)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(4-fluorophenyl)prop-2-en-1-one
CID 71451412

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]-1-(4-fluorophenyl)pentan-1-one?
The IUPAC name of 5-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]-1-(4-fluorophenyl)pentan-1-one (CID 513072) is 5-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]-1-(4-fluorophenyl)pentan-1-one.
What is the SMILES notation for 5-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]-1-(4-fluorophenyl)pentan-1-one?
The canonical SMILES for 5-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]-1-(4-fluorophenyl)pentan-1-one is O=C(CCCCOc1ccc(C2=NCCO2)cc1)c1ccc(F)cc1.
What is the InChIKey of 5-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]-1-(4-fluorophenyl)pentan-1-one?
The InChIKey is IBRKEZWTRQYMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO3/c21-17-8-4-15(5-9-17)19(23)3-1-2-13-24-18-10-6-16(7-11-18)20-22-12-14-25-20/h4-11H,1-3,12-14H2.
What are the key properties of 5-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]-1-(4-fluorophenyl)pentan-1-one?
5-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]-1-(4-fluorophenyl)pentan-1-one has a molecular weight of 341.38 g/mol, XLogP of 4.03, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]-1-(4-fluorophenyl)pentan-1-one is sourced from PubChem (CID 513072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).