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

C11H18F3N3O2 — CID 103856771

IUPAC2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCC(C)(C)c1nnc(CN(CCO)CC(F)(F)F)o1
InChIInChI=1S/C11H18F3N3O2/c1-10(2,3)9-16-15-8(19-9)6-17(4-5-18)7-11(12,13)14/h18H,4-7H2,1-3H3
InChIKeyYUEHTMLHSXQWLD-UHFFFAOYSA-N
MW281.28 g/mol
LogP1.72
Rot. Bonds5

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

2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 103856771) has the molecular formula C11H18F3N3O2 and a molecular weight of 281.28 g/mol. Its IUPAC name is 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID103856771
Molecular FormulaC11H18F3N3O2
Molecular Weight281.28 g/mol
Exact Mass281.14
IUPAC Name2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCC(C)(C)c1nnc(CN(CCO)CC(F)(F)F)o1
InChIInChI=1S/C11H18F3N3O2/c1-10(2,3)9-16-15-8(19-9)6-17(4-5-18)7-11(12,13)14/h18H,4-7H2,1-3H3
InChIKeyYUEHTMLHSXQWLD-UHFFFAOYSA-N
XLogP1.72
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol with MolForge

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Related Compounds

N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-N-ethylethanamine
CID 51078454
2-(((5-Ethyl-1,3,4-oxadiazol-2-yl)methyl)(propyl)amino)ethan-1-ol
CID 52263018
2,2,2-trifluoro-N-(2-methoxyethyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 56788633
2,2,2-trifluoro-N-(2-methoxyethyl)-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 72017268
2-Propan-2-yl-5-[[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 56428170
2-[(5-Ethyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258925
2-[(5-Tert-butyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266099
2-[(5-Methyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 103856874
2-[(5-Ethyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 103857824
2-[2,2-Difluoroethyl-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]amino]ethanol
CID 107485017
2-[2,2-Difluoroethyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]ethanol
CID 107485569
2-[(5-Tert-butyl-1,3,4-oxadiazol-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol
CID 107485716

Frequently Asked Questions

What is the IUPAC name of 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol (CID 103856771) is 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol is CC(C)(C)c1nnc(CN(CCO)CC(F)(F)F)o1.
What is the InChIKey of 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is YUEHTMLHSXQWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O2/c1-10(2,3)9-16-15-8(19-9)6-17(4-5-18)7-11(12,13)14/h18H,4-7H2,1-3H3.
What are the key properties of 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 281.28 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 103856771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).