2-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-ethylamino]ethanol

C11H22N4O2 — CID 106969630

IUPAC2-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-ethylamino]ethanol
SMILESCCN(CCO)c1nnc(CNC(C)(C)C)o1
InChIInChI=1S/C11H22N4O2/c1-5-15(6-7-16)10-14-13-9(17-10)8-12-11(2,3)4/h12,16H,5-8H2,1-4H3
InChIKeyMYXUZRFKBMDIHI-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.78
Rot. Bonds6

About 2-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-ethylamino]ethanol

2-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-ethylamino]ethanol (PubChem CID 106969630) has the molecular formula C11H22N4O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-ethylamino]ethanol.

Molecular Properties

Compound Name2-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-ethylamino]ethanol
PubChem CID106969630
Molecular FormulaC11H22N4O2
Molecular Weight242.32 g/mol
Exact Mass242.17
IUPAC Name2-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-ethylamino]ethanol
SMILESCCN(CCO)c1nnc(CNC(C)(C)C)o1
InChIInChI=1S/C11H22N4O2/c1-5-15(6-7-16)10-14-13-9(17-10)8-12-11(2,3)4/h12,16H,5-8H2,1-4H3
InChIKeyMYXUZRFKBMDIHI-UHFFFAOYSA-N
XLogP0.78
TPSA74.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(tert-butylamino)methyl]-N,N-diethyl-1,3,4-oxadiazol-2-amine
CID 106967540
2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]-ethylamino]ethanol
CID 106969622
2-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-ethylamino]-N-propan-2-ylacetamide
CID 106971169
2-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]-ethylamino]ethanol
CID 106956824
2-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-cyclopentylamino]ethanol
CID 106971108
5-[(tert-butylamino)methyl]-N,N-bis(2-methylpropyl)-1,3,4-oxadiazol-2-amine
CID 106969811
5-[(tert-butylamino)methyl]-N-ethyl-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106963085
2-[butyl-[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]ethanol
CID 106970325
5-[(tert-butylamino)methyl]-N-methyl-N-(2-methylbutan-2-yl)-1,3,4-oxadiazol-2-amine
CID 106961668
2-[propyl-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]ethanol
CID 106970585
5-[(tert-butylamino)methyl]-N-cyclopentyl-N-ethyl-1,3,4-oxadiazol-2-amine
CID 106969105
3-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]-ethylamino]propan-1-ol
CID 106958612

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-ethylamino]ethanol?
The IUPAC name of 2-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-ethylamino]ethanol (CID 106969630) is 2-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-ethylamino]ethanol.
What is the SMILES notation for 2-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-ethylamino]ethanol?
The canonical SMILES for 2-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-ethylamino]ethanol is CCN(CCO)c1nnc(CNC(C)(C)C)o1.
What is the InChIKey of 2-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-ethylamino]ethanol?
The InChIKey is MYXUZRFKBMDIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2/c1-5-15(6-7-16)10-14-13-9(17-10)8-12-11(2,3)4/h12,16H,5-8H2,1-4H3.
What are the key properties of 2-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-ethylamino]ethanol?
2-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-ethylamino]ethanol has a molecular weight of 242.32 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-ethylamino]ethanol is sourced from PubChem (CID 106969630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).