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

C11H19F2N3O2 — CID 107485716

IUPAC2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol
SMILESCC(C)(C)c1nnc(CN(CCO)CC(F)F)o1
InChIInChI=1S/C11H19F2N3O2/c1-11(2,3)10-15-14-9(18-10)7-16(4-5-17)6-8(12)13/h8,17H,4-7H2,1-3H3
InChIKeyXQZYMJSLVMRPRP-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.43
Rot. Bonds6

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

2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol (PubChem CID 107485716) has the molecular formula C11H19F2N3O2 and a molecular weight of 263.29 g/mol. Its IUPAC name is 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol
PubChem CID107485716
Molecular FormulaC11H19F2N3O2
Molecular Weight263.29 g/mol
Exact Mass263.14
IUPAC Name2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol
SMILESCC(C)(C)c1nnc(CN(CCO)CC(F)F)o1
InChIInChI=1S/C11H19F2N3O2/c1-11(2,3)10-15-14-9(18-10)7-16(4-5-17)6-8(12)13/h8,17H,4-7H2,1-3H3
InChIKeyXQZYMJSLVMRPRP-UHFFFAOYSA-N
XLogP1.43
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-Tert-butyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 103856771
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

Frequently Asked Questions

What is the IUPAC name of 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol?
The IUPAC name of 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol (CID 107485716) is 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol?
The canonical SMILES for 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol is CC(C)(C)c1nnc(CN(CCO)CC(F)F)o1.
What is the InChIKey of 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol?
The InChIKey is XQZYMJSLVMRPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2N3O2/c1-11(2,3)10-15-14-9(18-10)7-16(4-5-17)6-8(12)13/h8,17H,4-7H2,1-3H3.
What are the key properties of 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol?
2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol has a molecular weight of 263.29 g/mol, XLogP of 1.43, 6 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-difluoroethyl)amino]ethanol is sourced from PubChem (CID 107485716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).