2-[3-[1-[3-(trifluoromethyl)phenyl]indol-3-yl]-4,5-dihydro-1,2-oxazol-5-yl]ethanol

C20H17F3N2O2 — CID 51346930

IUPAC2-[3-[1-[3-(trifluoromethyl)phenyl]indol-3-yl]-4,5-dihydro-1,2-oxazol-5-yl]ethanol
SMILESOCCC1CC(c2cn(-c3cccc(C(F)(F)F)c3)c3ccccc23)=NO1
InChIInChI=1S/C20H17F3N2O2/c21-20(22,23)13-4-3-5-14(10-13)25-12-17(16-6-1-2-7-19(16)25)18-11-15(8-9-26)27-24-18/h1-7,10,12,15,26H,8-9,11H2
InChIKeyGCETYSUVFZPOSZ-UHFFFAOYSA-N
MW374.36 g/mol
LogP4.52
Rot. Bonds4

About 2-[3-[1-[3-(trifluoromethyl)phenyl]indol-3-yl]-4,5-dihydro-1,2-oxazol-5-yl]ethanol

2-[3-[1-[3-(trifluoromethyl)phenyl]indol-3-yl]-4,5-dihydro-1,2-oxazol-5-yl]ethanol (PubChem CID 51346930) has the molecular formula C20H17F3N2O2 and a molecular weight of 374.36 g/mol. Its IUPAC name is 2-[3-[1-[3-(trifluoromethyl)phenyl]indol-3-yl]-4,5-dihydro-1,2-oxazol-5-yl]ethanol.

Molecular Properties

Compound Name2-[3-[1-[3-(trifluoromethyl)phenyl]indol-3-yl]-4,5-dihydro-1,2-oxazol-5-yl]ethanol
PubChem CID51346930
Molecular FormulaC20H17F3N2O2
Molecular Weight374.36 g/mol
Exact Mass374.12
IUPAC Name2-[3-[1-[3-(trifluoromethyl)phenyl]indol-3-yl]-4,5-dihydro-1,2-oxazol-5-yl]ethanol
SMILESOCCC1CC(c2cn(-c3cccc(C(F)(F)F)c3)c3ccccc23)=NO1
InChIInChI=1S/C20H17F3N2O2/c21-20(22,23)13-4-3-5-14(10-13)25-12-17(16-6-1-2-7-19(16)25)18-11-15(8-9-26)27-24-18/h1-7,10,12,15,26H,8-9,11H2
InChIKeyGCETYSUVFZPOSZ-UHFFFAOYSA-N
XLogP4.52
TPSA46.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.36
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-[3-(trifluoromethyl)phenyl]indol-3-yl]-4,5-dihydro-1,2-oxazol-5-yl]ethanol?
The IUPAC name of 2-[3-[1-[3-(trifluoromethyl)phenyl]indol-3-yl]-4,5-dihydro-1,2-oxazol-5-yl]ethanol (CID 51346930) is 2-[3-[1-[3-(trifluoromethyl)phenyl]indol-3-yl]-4,5-dihydro-1,2-oxazol-5-yl]ethanol.
What is the SMILES notation for 2-[3-[1-[3-(trifluoromethyl)phenyl]indol-3-yl]-4,5-dihydro-1,2-oxazol-5-yl]ethanol?
The canonical SMILES for 2-[3-[1-[3-(trifluoromethyl)phenyl]indol-3-yl]-4,5-dihydro-1,2-oxazol-5-yl]ethanol is OCCC1CC(c2cn(-c3cccc(C(F)(F)F)c3)c3ccccc23)=NO1.
What is the InChIKey of 2-[3-[1-[3-(trifluoromethyl)phenyl]indol-3-yl]-4,5-dihydro-1,2-oxazol-5-yl]ethanol?
The InChIKey is GCETYSUVFZPOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2O2/c21-20(22,23)13-4-3-5-14(10-13)25-12-17(16-6-1-2-7-19(16)25)18-11-15(8-9-26)27-24-18/h1-7,10,12,15,26H,8-9,11H2.
What are the key properties of 2-[3-[1-[3-(trifluoromethyl)phenyl]indol-3-yl]-4,5-dihydro-1,2-oxazol-5-yl]ethanol?
2-[3-[1-[3-(trifluoromethyl)phenyl]indol-3-yl]-4,5-dihydro-1,2-oxazol-5-yl]ethanol has a molecular weight of 374.36 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-[3-(trifluoromethyl)phenyl]indol-3-yl]-4,5-dihydro-1,2-oxazol-5-yl]ethanol is sourced from PubChem (CID 51346930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).