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

C8H12F3N3O2 — CID 103856874

IUPAC2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCc1nnc(CN(CCO)CC(F)(F)F)o1
InChIInChI=1S/C8H12F3N3O2/c1-6-12-13-7(16-6)4-14(2-3-15)5-8(9,10)11/h15H,2-5H2,1H3
InChIKeyZWJJOPSAJPLNOD-UHFFFAOYSA-N
MW239.20 g/mol
LogP0.73
Rot. Bonds5

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

2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 103856874) has the molecular formula C8H12F3N3O2 and a molecular weight of 239.20 g/mol. Its IUPAC name is 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID103856874
Molecular FormulaC8H12F3N3O2
Molecular Weight239.20 g/mol
Exact Mass239.09
IUPAC Name2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCc1nnc(CN(CCO)CC(F)(F)F)o1
InChIInChI=1S/C8H12F3N3O2/c1-6-12-13-7(16-6)4-14(2-3-15)5-8(9,10)11/h15H,2-5H2,1H3
InChIKeyZWJJOPSAJPLNOD-UHFFFAOYSA-N
XLogP0.73
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.20
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol (CID 103856874) is 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol is Cc1nnc(CN(CCO)CC(F)(F)F)o1.
What is the InChIKey of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is ZWJJOPSAJPLNOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3O2/c1-6-12-13-7(16-6)4-14(2-3-15)5-8(9,10)11/h15H,2-5H2,1H3.
What are the key properties of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 239.20 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 103856874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).