1-[3-(2,3,5-trifluorophenyl)-1,2-oxazol-5-yl]ethanol

C11H8F3NO2 — CID 166596962

IUPAC1-[3-(2,3,5-trifluorophenyl)-1,2-oxazol-5-yl]ethanol
SMILESCC(O)c1cc(-c2cc(F)cc(F)c2F)no1
InChIInChI=1S/C11H8F3NO2/c1-5(16)10-4-9(15-17-10)7-2-6(12)3-8(13)11(7)14/h2-5,16H,1H3
InChIKeyMKLINLRJYASUTC-UHFFFAOYSA-N
MW243.18 g/mol
LogP2.81
Rot. Bonds2

About 1-[3-(2,3,5-trifluorophenyl)-1,2-oxazol-5-yl]ethanol

1-[3-(2,3,5-trifluorophenyl)-1,2-oxazol-5-yl]ethanol (PubChem CID 166596962) has the molecular formula C11H8F3NO2 and a molecular weight of 243.18 g/mol. Its IUPAC name is 1-[3-(2,3,5-trifluorophenyl)-1,2-oxazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[3-(2,3,5-trifluorophenyl)-1,2-oxazol-5-yl]ethanol
PubChem CID166596962
Molecular FormulaC11H8F3NO2
Molecular Weight243.18 g/mol
Exact Mass243.05
IUPAC Name1-[3-(2,3,5-trifluorophenyl)-1,2-oxazol-5-yl]ethanol
SMILESCC(O)c1cc(-c2cc(F)cc(F)c2F)no1
InChIInChI=1S/C11H8F3NO2/c1-5(16)10-4-9(15-17-10)7-2-6(12)3-8(13)11(7)14/h2-5,16H,1H3
InChIKeyMKLINLRJYASUTC-UHFFFAOYSA-N
XLogP2.81
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.18
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,3,5-trifluorophenyl)-1,2-oxazol-5-yl]ethanol?
The IUPAC name of 1-[3-(2,3,5-trifluorophenyl)-1,2-oxazol-5-yl]ethanol (CID 166596962) is 1-[3-(2,3,5-trifluorophenyl)-1,2-oxazol-5-yl]ethanol.
What is the SMILES notation for 1-[3-(2,3,5-trifluorophenyl)-1,2-oxazol-5-yl]ethanol?
The canonical SMILES for 1-[3-(2,3,5-trifluorophenyl)-1,2-oxazol-5-yl]ethanol is CC(O)c1cc(-c2cc(F)cc(F)c2F)no1.
What is the InChIKey of 1-[3-(2,3,5-trifluorophenyl)-1,2-oxazol-5-yl]ethanol?
The InChIKey is MKLINLRJYASUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NO2/c1-5(16)10-4-9(15-17-10)7-2-6(12)3-8(13)11(7)14/h2-5,16H,1H3.
What are the key properties of 1-[3-(2,3,5-trifluorophenyl)-1,2-oxazol-5-yl]ethanol?
1-[3-(2,3,5-trifluorophenyl)-1,2-oxazol-5-yl]ethanol has a molecular weight of 243.18 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,3,5-trifluorophenyl)-1,2-oxazol-5-yl]ethanol is sourced from PubChem (CID 166596962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).