2-[[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]-methylamino]ethanol

C9H18N4O2 — CID 106969645

IUPAC2-[[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]-methylamino]ethanol
SMILESCCNC(C)c1nnc(N(C)CCO)o1
InChIInChI=1S/C9H18N4O2/c1-4-10-7(2)8-11-12-9(15-8)13(3)5-6-14/h7,10,14H,4-6H2,1-3H3
InChIKeyLFSBOQLQLHDOGC-UHFFFAOYSA-N
MW214.27 g/mol
LogP0.17
Rot. Bonds6

About 2-[[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]-methylamino]ethanol

2-[[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]-methylamino]ethanol (PubChem CID 106969645) has the molecular formula C9H18N4O2 and a molecular weight of 214.27 g/mol. Its IUPAC name is 2-[[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]-methylamino]ethanol.

Molecular Properties

Compound Name2-[[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]-methylamino]ethanol
PubChem CID106969645
Molecular FormulaC9H18N4O2
Molecular Weight214.27 g/mol
Exact Mass214.14
IUPAC Name2-[[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]-methylamino]ethanol
SMILESCCNC(C)c1nnc(N(C)CCO)o1
InChIInChI=1S/C9H18N4O2/c1-4-10-7(2)8-11-12-9(15-8)13(3)5-6-14/h7,10,14H,4-6H2,1-3H3
InChIKeyLFSBOQLQLHDOGC-UHFFFAOYSA-N
XLogP0.17
TPSA74.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]-methylamino]ethanol?
The IUPAC name of 2-[[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]-methylamino]ethanol (CID 106969645) is 2-[[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]-methylamino]ethanol.
What is the SMILES notation for 2-[[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]-methylamino]ethanol?
The canonical SMILES for 2-[[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]-methylamino]ethanol is CCNC(C)c1nnc(N(C)CCO)o1.
What is the InChIKey of 2-[[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]-methylamino]ethanol?
The InChIKey is LFSBOQLQLHDOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O2/c1-4-10-7(2)8-11-12-9(15-8)13(3)5-6-14/h7,10,14H,4-6H2,1-3H3.
What are the key properties of 2-[[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]-methylamino]ethanol?
2-[[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]-methylamino]ethanol has a molecular weight of 214.27 g/mol, XLogP of 0.17, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]-methylamino]ethanol is sourced from PubChem (CID 106969645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).