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

C11H12F3N3O2S — CID 103856809

IUPAC2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESOCCN(Cc1nnc(-c2cccs2)o1)CC(F)(F)F
InChIInChI=1S/C11H12F3N3O2S/c12-11(13,14)7-17(3-4-18)6-9-15-16-10(19-9)8-2-1-5-20-8/h1-2,5,18H,3-4,6-7H2
InChIKeyAJGWHBLHZMMERI-UHFFFAOYSA-N
MW307.30 g/mol
LogP2.15
Rot. Bonds6

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

2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 103856809) has the molecular formula C11H12F3N3O2S and a molecular weight of 307.30 g/mol. Its IUPAC name is 2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID103856809
Molecular FormulaC11H12F3N3O2S
Molecular Weight307.30 g/mol
Exact Mass307.06
IUPAC Name2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESOCCN(Cc1nnc(-c2cccs2)o1)CC(F)(F)F
InChIInChI=1S/C11H12F3N3O2S/c12-11(13,14)7-17(3-4-18)6-9-15-16-10(19-9)8-2-1-5-20-8/h1-2,5,18H,3-4,6-7H2
InChIKeyAJGWHBLHZMMERI-UHFFFAOYSA-N
XLogP2.15
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.30
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

1-Morpholin-4-yl-2-(5-thiophen-2-yl-[1,3,4]oxadiazol-2-ylsulfanyl)-ethanone
CID 865186
N-methyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 133980835
4-[2-[(5-Thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]ethyl]morpholine
CID 75393578
2-[2-[(5-Thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethylamino]ethanol
CID 2101842
1-[4-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-1,4-diazepan-1-yl]ethanone
CID 34927632
2-[(3,5-Dimethylpiperidin-1-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 53537269
4-Methyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1,2,4-triazol-3-one
CID 75390998
N-methyl-N-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine
CID 95262174
(5S)-7-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-2-oxa-7-azaspiro[4.4]nonane
CID 97079021
2-{[5-(Thiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl}-6-(trifluoromethyl)-2,3-dihydropyridazin-3-one
CID 75432330
(5-Thiophen-2-yl-1,3,4-oxadiazol-2-yl)methanamine;2,2,2-trifluoroacetic acid
CID 175878548
1-[(5-Thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one
CID 2467031

Frequently Asked Questions

What is the IUPAC name of 2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol (CID 103856809) is 2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol is OCCN(Cc1nnc(-c2cccs2)o1)CC(F)(F)F.
What is the InChIKey of 2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is AJGWHBLHZMMERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3O2S/c12-11(13,14)7-17(3-4-18)6-9-15-16-10(19-9)8-2-1-5-20-8/h1-2,5,18H,3-4,6-7H2.
What are the key properties of 2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 307.30 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 103856809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).