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

C9H14F3N3O2 — CID 103857824

IUPAC2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCCc1nnc(CN(CCO)CC(F)(F)F)o1
InChIInChI=1S/C9H14F3N3O2/c1-2-7-13-14-8(17-7)5-15(3-4-16)6-9(10,11)12/h16H,2-6H2,1H3
InChIKeyZOADDLPWKBFXOI-UHFFFAOYSA-N
MW253.22 g/mol
LogP0.99
Rot. Bonds6

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

2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 103857824) has the molecular formula C9H14F3N3O2 and a molecular weight of 253.22 g/mol. Its IUPAC name is 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID103857824
Molecular FormulaC9H14F3N3O2
Molecular Weight253.22 g/mol
Exact Mass253.10
IUPAC Name2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCCc1nnc(CN(CCO)CC(F)(F)F)o1
InChIInChI=1S/C9H14F3N3O2/c1-2-7-13-14-8(17-7)5-15(3-4-16)6-9(10,11)12/h16H,2-6H2,1H3
InChIKeyZOADDLPWKBFXOI-UHFFFAOYSA-N
XLogP0.99
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.22
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol (CID 103857824) is 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol is CCc1nnc(CN(CCO)CC(F)(F)F)o1.
What is the InChIKey of 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is ZOADDLPWKBFXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3O2/c1-2-7-13-14-8(17-7)5-15(3-4-16)6-9(10,11)12/h16H,2-6H2,1H3.
What are the key properties of 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 253.22 g/mol, XLogP of 0.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 103857824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).