1-[2-[2-[3-(trifluoromethyl)-1,2-oxazol-5-yl]ethenyl]phenoxy]propan-2-ol

C15H14F3NO3 — CID 67755125

IUPAC1-[2-[2-[3-(trifluoromethyl)-1,2-oxazol-5-yl]ethenyl]phenoxy]propan-2-ol
SMILESCC(O)COc1ccccc1C=Cc1cc(C(F)(F)F)no1
InChIInChI=1S/C15H14F3NO3/c1-10(20)9-21-13-5-3-2-4-11(13)6-7-12-8-14(19-22-12)15(16,17)18/h2-8,10,20H,9H2,1H3
InChIKeyFPXFRFZVVSTDIU-UHFFFAOYSA-N
MW313.28 g/mol
LogP3.62
Rot. Bonds5

About 1-[2-[2-[3-(trifluoromethyl)-1,2-oxazol-5-yl]ethenyl]phenoxy]propan-2-ol

1-[2-[2-[3-(trifluoromethyl)-1,2-oxazol-5-yl]ethenyl]phenoxy]propan-2-ol (PubChem CID 67755125) has the molecular formula C15H14F3NO3 and a molecular weight of 313.28 g/mol. Its IUPAC name is 1-[2-[2-[3-(trifluoromethyl)-1,2-oxazol-5-yl]ethenyl]phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-[2-[2-[3-(trifluoromethyl)-1,2-oxazol-5-yl]ethenyl]phenoxy]propan-2-ol
PubChem CID67755125
Molecular FormulaC15H14F3NO3
Molecular Weight313.28 g/mol
Exact Mass313.09
IUPAC Name1-[2-[2-[3-(trifluoromethyl)-1,2-oxazol-5-yl]ethenyl]phenoxy]propan-2-ol
SMILESCC(O)COc1ccccc1C=Cc1cc(C(F)(F)F)no1
InChIInChI=1S/C15H14F3NO3/c1-10(20)9-21-13-5-3-2-4-11(13)6-7-12-8-14(19-22-12)15(16,17)18/h2-8,10,20H,9H2,1H3
InChIKeyFPXFRFZVVSTDIU-UHFFFAOYSA-N
XLogP3.62
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(E)-2-(4-methoxyphenyl)ethenyl]-5-(trifluoromethyl)-1,2-oxazole
CID 6111476
5-[3-[2,6-Dimethyl-4-[3-(trifluoromethyl)phenyl]phenoxy]propyl]-3-methyl-1,2-oxazole
CID 11703786
5-[3-[2,6-Dimethyl-4-[4-(trifluoromethoxy)phenyl]phenoxy]propyl]-3-methyl-1,2-oxazole
CID 44427664
Isoxaprolol
CID 6443854
5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazole
CID 1070756
3,5-Diethyl-4-[6-(2-fluorophenoxy)hexyl]isoxazole
CID 5271172
Isoxazole, 3-((2,6-dimethylphenoxy)methyl)-5-methyl-
CID 3073025
Ethanamine, N,N-diethyl-2-(2-(2-(3-methyl-5-isoxazolyl)ethenyl)phenoxy)-, monohydrochloride, (E)-
CID 6448472
Ethanamine, N,N-dimethyl-2-(2-(2-(3-methyl-5-isoxazolyl)ethenyl)phenoxy)-, monohydrochloride,(E)-
CID 6448474
1-Propanamine, N,N-dimethyl-3-(2-(2-(3-methyl-5-isoxazolyl)ethenyl)phenoxy)-, monohydrochloride, (E)-
CID 6448499
3,5-Dimethyl-4-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole
CID 2457274
3,5-Diethyl-4-[6-[2-(trifluoromethyl)phenoxy]hexyl]isoxazole
CID 5271168

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[3-(trifluoromethyl)-1,2-oxazol-5-yl]ethenyl]phenoxy]propan-2-ol?
The IUPAC name of 1-[2-[2-[3-(trifluoromethyl)-1,2-oxazol-5-yl]ethenyl]phenoxy]propan-2-ol (CID 67755125) is 1-[2-[2-[3-(trifluoromethyl)-1,2-oxazol-5-yl]ethenyl]phenoxy]propan-2-ol.
What is the SMILES notation for 1-[2-[2-[3-(trifluoromethyl)-1,2-oxazol-5-yl]ethenyl]phenoxy]propan-2-ol?
The canonical SMILES for 1-[2-[2-[3-(trifluoromethyl)-1,2-oxazol-5-yl]ethenyl]phenoxy]propan-2-ol is CC(O)COc1ccccc1C=Cc1cc(C(F)(F)F)no1.
What is the InChIKey of 1-[2-[2-[3-(trifluoromethyl)-1,2-oxazol-5-yl]ethenyl]phenoxy]propan-2-ol?
The InChIKey is FPXFRFZVVSTDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO3/c1-10(20)9-21-13-5-3-2-4-11(13)6-7-12-8-14(19-22-12)15(16,17)18/h2-8,10,20H,9H2,1H3.
What are the key properties of 1-[2-[2-[3-(trifluoromethyl)-1,2-oxazol-5-yl]ethenyl]phenoxy]propan-2-ol?
1-[2-[2-[3-(trifluoromethyl)-1,2-oxazol-5-yl]ethenyl]phenoxy]propan-2-ol has a molecular weight of 313.28 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[3-(trifluoromethyl)-1,2-oxazol-5-yl]ethenyl]phenoxy]propan-2-ol is sourced from PubChem (CID 67755125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).