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

C7H12F2N4O2 — CID 107495563

IUPAC2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]-(2,2-difluoroethyl)amino]ethanol
SMILESNCc1nnc(N(CCO)CC(F)F)o1
InChIInChI=1S/C7H12F2N4O2/c8-5(9)4-13(1-2-14)7-12-11-6(3-10)15-7/h5,14H,1-4,10H2
InChIKeyJRKKUWBNCFZKIV-UHFFFAOYSA-N
MW222.19 g/mol
LogP-0.41
Rot. Bonds6

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

2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]-(2,2-difluoroethyl)amino]ethanol (PubChem CID 107495563) has the molecular formula C7H12F2N4O2 and a molecular weight of 222.19 g/mol. Its IUPAC name is 2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]-(2,2-difluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]-(2,2-difluoroethyl)amino]ethanol
PubChem CID107495563
Molecular FormulaC7H12F2N4O2
Molecular Weight222.19 g/mol
Exact Mass222.09
IUPAC Name2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]-(2,2-difluoroethyl)amino]ethanol
SMILESNCc1nnc(N(CCO)CC(F)F)o1
InChIInChI=1S/C7H12F2N4O2/c8-5(9)4-13(1-2-14)7-12-11-6(3-10)15-7/h5,14H,1-4,10H2
InChIKeyJRKKUWBNCFZKIV-UHFFFAOYSA-N
XLogP-0.41
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.19
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]-ethylamino]ethanol
CID 106969622
2-[[5-(aminomethyl)pyrazin-2-yl]-(2,2-difluoroethyl)amino]ethanol
CID 107478418
2-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]-ethylamino]ethanol
CID 106956824
2-[[4-(aminomethyl)pyrimidin-2-yl]-(2,2-difluoroethyl)amino]ethanol
CID 107542342
2-[(5-aminopyrazin-2-yl)-(2,2-difluoroethyl)amino]ethanol
CID 107495031
2-[[3-(aminomethyl)-2-pyridinyl]-(2,2-difluoroethyl)amino]ethanol
CID 107478427
2-[butyl-[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]ethanol
CID 106970325
2-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-ethylamino]ethanol
CID 106969630
2-[propyl-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]ethanol
CID 106970585
2-[2-(aminomethyl)-3-bromo-N-(2,2-difluoroethyl)anilino]ethanol
CID 107478448
2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol
CID 107485716
2-[2-(aminomethyl)-N-(2,2-difluoroethyl)-6-methylanilino]ethanol
CID 107478449

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]-(2,2-difluoroethyl)amino]ethanol?
The IUPAC name of 2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]-(2,2-difluoroethyl)amino]ethanol (CID 107495563) is 2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]-(2,2-difluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]-(2,2-difluoroethyl)amino]ethanol?
The canonical SMILES for 2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]-(2,2-difluoroethyl)amino]ethanol is NCc1nnc(N(CCO)CC(F)F)o1.
What is the InChIKey of 2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]-(2,2-difluoroethyl)amino]ethanol?
The InChIKey is JRKKUWBNCFZKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2N4O2/c8-5(9)4-13(1-2-14)7-12-11-6(3-10)15-7/h5,14H,1-4,10H2.
What are the key properties of 2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]-(2,2-difluoroethyl)amino]ethanol?
2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]-(2,2-difluoroethyl)amino]ethanol has a molecular weight of 222.19 g/mol, XLogP of -0.41, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]-(2,2-difluoroethyl)amino]ethanol is sourced from PubChem (CID 107495563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).