4-[3-(4-fluorophenyl)pentyl]-2-methyl-4,5-dihydro-1,3-oxazole

C15H20FNO — CID 91327565

IUPAC4-[3-(4-fluorophenyl)pentyl]-2-methyl-4,5-dihydro-1,3-oxazole
SMILESCCC(CCC1COC(C)=N1)c1ccc(F)cc1
InChIInChI=1S/C15H20FNO/c1-3-12(13-4-7-14(16)8-5-13)6-9-15-10-18-11(2)17-15/h4-5,7-8,12,15H,3,6,9-10H2,1-2H3
InChIKeyWMQOESNCAXUYQT-UHFFFAOYSA-N
MW249.33 g/mol
LogP3.92
Rot. Bonds5

About 4-[3-(4-fluorophenyl)pentyl]-2-methyl-4,5-dihydro-1,3-oxazole

4-[3-(4-fluorophenyl)pentyl]-2-methyl-4,5-dihydro-1,3-oxazole (PubChem CID 91327565) has the molecular formula C15H20FNO and a molecular weight of 249.33 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)pentyl]-2-methyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)pentyl]-2-methyl-4,5-dihydro-1,3-oxazole
PubChem CID91327565
Molecular FormulaC15H20FNO
Molecular Weight249.33 g/mol
Exact Mass249.15
IUPAC Name4-[3-(4-fluorophenyl)pentyl]-2-methyl-4,5-dihydro-1,3-oxazole
SMILESCCC(CCC1COC(C)=N1)c1ccc(F)cc1
InChIInChI=1S/C15H20FNO/c1-3-12(13-4-7-14(16)8-5-13)6-9-15-10-18-11(2)17-15/h4-5,7-8,12,15H,3,6,9-10H2,1-2H3
InChIKeyWMQOESNCAXUYQT-UHFFFAOYSA-N
XLogP3.92
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-4-((S)-2-Phenylbutyl)-4,5-dihydrooxazol-2-amine
CID 24963286
(4S)-4,5-Dihydro-4-[(2R)-2-phenylbutyl]-2-oxazolamine
CID 24963287
(4S)-4-[(2R)-2-phenylpropyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 59323844
(4S)-4-[(2S)-2-phenylpropyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 59323854
(4S)-4-[3-(3,5-difluoro-phenyl)-pentyl]-4,5-dihydro-oxazol-2-ylamine
CID 45101104
AG-H-02521
CID 5325154
(4S)-4-[2-(2-fluorophenyl)butyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 24963279
(4S)-4-[2-(3-fluorophenyl)butyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 24963630
(S)-4-(2-phenyl-butyl)-4,5-dihydro-oxazol-2-ylamine
CID 24968263
(4S)-4-[2-(3,5-difluorophenyl)propyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 24968606
(4S)-4-[2-(3,5-difluorophenyl)butyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 24968607
(4S)-4-[2-(3,4-difluorophenyl)butyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 24968609

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluorophenyl)pentyl]-2-methyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-[3-(4-fluorophenyl)pentyl]-2-methyl-4,5-dihydro-1,3-oxazole (CID 91327565) is 4-[3-(4-fluorophenyl)pentyl]-2-methyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-[3-(4-fluorophenyl)pentyl]-2-methyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-[3-(4-fluorophenyl)pentyl]-2-methyl-4,5-dihydro-1,3-oxazole is CCC(CCC1COC(C)=N1)c1ccc(F)cc1.
What is the InChIKey of 4-[3-(4-fluorophenyl)pentyl]-2-methyl-4,5-dihydro-1,3-oxazole?
The InChIKey is WMQOESNCAXUYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO/c1-3-12(13-4-7-14(16)8-5-13)6-9-15-10-18-11(2)17-15/h4-5,7-8,12,15H,3,6,9-10H2,1-2H3.
What are the key properties of 4-[3-(4-fluorophenyl)pentyl]-2-methyl-4,5-dihydro-1,3-oxazole?
4-[3-(4-fluorophenyl)pentyl]-2-methyl-4,5-dihydro-1,3-oxazole has a molecular weight of 249.33 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenyl)pentyl]-2-methyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 91327565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).