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

C13H26N4O — CID 28553910

IUPAC5-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-1-amine
SMILESCCN(CC)CCc1noc(CCCCCN)n1
InChIInChI=1S/C13H26N4O/c1-3-17(4-2)11-9-12-15-13(18-16-12)8-6-5-7-10-14/h3-11,14H2,1-2H3
InChIKeyZIDXOMSNSSGBBX-UHFFFAOYSA-N
MW254.38 g/mol
LogP1.63
Rot. Bonds10

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

5-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-1-amine (PubChem CID 28553910) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is 5-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-1-amine.

Molecular Properties

Compound Name5-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-1-amine
PubChem CID28553910
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC Name5-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-1-amine
SMILESCCN(CC)CCc1noc(CCCCCN)n1
InChIInChI=1S/C13H26N4O/c1-3-17(4-2)11-9-12-15-13(18-16-12)8-6-5-7-10-14/h3-11,14H2,1-2H3
InChIKeyZIDXOMSNSSGBBX-UHFFFAOYSA-N
XLogP1.63
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[(3-dodecyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-1-carboximidamide
CID 89750013
5-[3-(2,2,2-Trifluoroethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 61392896
6-[3-(2,2,2-Trifluoroethyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine
CID 61392980
1-[3-(2,2,2-Trifluoroethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 63350324
N-methyl-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 63350415
N-ethyl-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 63350416
N-propyl-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 63350417
3-Ethyl-5-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 64349448
3-Methyl-5-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 64364573
6-[3-(3,3,3-Trifluoropropyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine
CID 79953249
3-Ethyl-5-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 79954209
5-[3-(3,3,3-Trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 79954715

Frequently Asked Questions

What is the IUPAC name of 5-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-1-amine?
The IUPAC name of 5-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-1-amine (CID 28553910) is 5-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-1-amine.
What is the SMILES notation for 5-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-1-amine?
The canonical SMILES for 5-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-1-amine is CCN(CC)CCc1noc(CCCCCN)n1.
What is the InChIKey of 5-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-1-amine?
The InChIKey is ZIDXOMSNSSGBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-3-17(4-2)11-9-12-15-13(18-16-12)8-6-5-7-10-14/h3-11,14H2,1-2H3.
What are the key properties of 5-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-1-amine?
5-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-1-amine has a molecular weight of 254.38 g/mol, XLogP of 1.63, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-1-amine is sourced from PubChem (CID 28553910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).