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

C11H13F2N3O2S — CID 107485162

IUPAC2-[2,2-difluoroethyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]ethanol
SMILESOCCN(Cc1nnc(-c2cccs2)o1)CC(F)F
InChIInChI=1S/C11H13F2N3O2S/c12-9(13)6-16(3-4-17)7-10-14-15-11(18-10)8-2-1-5-19-8/h1-2,5,9,17H,3-4,6-7H2
InChIKeyAKOASOYMLBMFDB-UHFFFAOYSA-N
MW289.31 g/mol
LogP1.86
Rot. Bonds7

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

2-[2,2-difluoroethyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]ethanol (PubChem CID 107485162) has the molecular formula C11H13F2N3O2S and a molecular weight of 289.31 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[2,2-difluoroethyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]ethanol
PubChem CID107485162
Molecular FormulaC11H13F2N3O2S
Molecular Weight289.31 g/mol
Exact Mass289.07
IUPAC Name2-[2,2-difluoroethyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]ethanol
SMILESOCCN(Cc1nnc(-c2cccs2)o1)CC(F)F
InChIInChI=1S/C11H13F2N3O2S/c12-9(13)6-16(3-4-17)7-10-14-15-11(18-10)8-2-1-5-19-8/h1-2,5,9,17H,3-4,6-7H2
InChIKeyAKOASOYMLBMFDB-UHFFFAOYSA-N
XLogP1.86
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]ethanol?
The IUPAC name of 2-[2,2-difluoroethyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]ethanol (CID 107485162) is 2-[2,2-difluoroethyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]ethanol.
What is the SMILES notation for 2-[2,2-difluoroethyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]ethanol?
The canonical SMILES for 2-[2,2-difluoroethyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]ethanol is OCCN(Cc1nnc(-c2cccs2)o1)CC(F)F.
What is the InChIKey of 2-[2,2-difluoroethyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]ethanol?
The InChIKey is AKOASOYMLBMFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N3O2S/c12-9(13)6-16(3-4-17)7-10-14-15-11(18-10)8-2-1-5-19-8/h1-2,5,9,17H,3-4,6-7H2.
What are the key properties of 2-[2,2-difluoroethyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]ethanol?
2-[2,2-difluoroethyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]ethanol has a molecular weight of 289.31 g/mol, XLogP of 1.86, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoroethyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]ethanol is sourced from PubChem (CID 107485162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).