2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol

C11H12F3N3O3 — CID 103856814

IUPAC2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESOCCN(Cc1nnc(-c2ccco2)o1)CC(F)(F)F
InChIInChI=1S/C11H12F3N3O3/c12-11(13,14)7-17(3-4-18)6-9-15-16-10(20-9)8-2-1-5-19-8/h1-2,5,18H,3-4,6-7H2
InChIKeyIVERDIKKLYELDS-UHFFFAOYSA-N
MW291.23 g/mol
LogP1.69
Rot. Bonds6

About 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol

2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 103856814) has the molecular formula C11H12F3N3O3 and a molecular weight of 291.23 g/mol. Its IUPAC name is 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID103856814
Molecular FormulaC11H12F3N3O3
Molecular Weight291.23 g/mol
Exact Mass291.08
IUPAC Name2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESOCCN(Cc1nnc(-c2ccco2)o1)CC(F)(F)F
InChIInChI=1S/C11H12F3N3O3/c12-11(13,14)7-17(3-4-18)6-9-15-16-10(20-9)8-2-1-5-19-8/h1-2,5,18H,3-4,6-7H2
InChIKeyIVERDIKKLYELDS-UHFFFAOYSA-N
XLogP1.69
TPSA75.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.23
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol (CID 103856814) is 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol is OCCN(Cc1nnc(-c2ccco2)o1)CC(F)(F)F.
What is the InChIKey of 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is IVERDIKKLYELDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3O3/c12-11(13,14)7-17(3-4-18)6-9-15-16-10(20-9)8-2-1-5-19-8/h1-2,5,18H,3-4,6-7H2.
What are the key properties of 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol?
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 291.23 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 103856814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).