3-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-2-ol

C13H25N3O2 — CID 63345080

IUPAC3-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-2-ol
SMILESCCC(c1nc(CCN(CC)CC)no1)C(C)O
InChIInChI=1S/C13H25N3O2/c1-5-11(10(4)17)13-14-12(15-18-13)8-9-16(6-2)7-3/h10-11,17H,5-9H2,1-4H3
InChIKeyXPDLXPYXWYGANF-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.83
Rot. Bonds8

About 3-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-2-ol

3-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-2-ol (PubChem CID 63345080) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 3-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-2-ol.

Molecular Properties

Compound Name3-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-2-ol
PubChem CID63345080
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name3-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-2-ol
SMILESCCC(c1nc(CCN(CC)CC)no1)C(C)O
InChIInChI=1S/C13H25N3O2/c1-5-11(10(4)17)13-14-12(15-18-13)8-9-16(6-2)7-3/h10-11,17H,5-9H2,1-4H3
InChIKeyXPDLXPYXWYGANF-UHFFFAOYSA-N
XLogP1.83
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-2-ol?
The IUPAC name of 3-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-2-ol (CID 63345080) is 3-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-2-ol.
What is the SMILES notation for 3-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-2-ol?
The canonical SMILES for 3-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-2-ol is CCC(c1nc(CCN(CC)CC)no1)C(C)O.
What is the InChIKey of 3-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-2-ol?
The InChIKey is XPDLXPYXWYGANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-5-11(10(4)17)13-14-12(15-18-13)8-9-16(6-2)7-3/h10-11,17H,5-9H2,1-4H3.
What are the key properties of 3-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-2-ol?
3-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-2-ol has a molecular weight of 255.36 g/mol, XLogP of 1.83, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-2-ol is sourced from PubChem (CID 63345080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).