6-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine

C15H22N4O — CID 82736599

IUPAC6-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine
SMILESCCc1cccnc1-c1noc(CCCCCCN)n1
InChIInChI=1S/C15H22N4O/c1-2-12-8-7-11-17-14(12)15-18-13(20-19-15)9-5-3-4-6-10-16/h7-8,11H,2-6,9-10,16H2,1H3
InChIKeyOQTGLSAEIOLJBZ-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.76
Rot. Bonds8

About 6-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine

6-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine (PubChem CID 82736599) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 6-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine.

Molecular Properties

Compound Name6-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine
PubChem CID82736599
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name6-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine
SMILESCCc1cccnc1-c1noc(CCCCCCN)n1
InChIInChI=1S/C15H22N4O/c1-2-12-8-7-11-17-14(12)15-18-13(20-19-15)9-5-3-4-6-10-16/h7-8,11H,2-6,9-10,16H2,1H3
InChIKeyOQTGLSAEIOLJBZ-UHFFFAOYSA-N
XLogP2.76
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.76
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

5-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine
CID 43622167
2-[[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methoxy]ethanamine
CID 82736496
5-chloro-3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazole
CID 82741728
2-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]acetonitrile
CID 106526504
N-[2-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine
CID 82737536
(1S)-1-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104881133
2-[[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid
CID 82730434
5-(azetidin-3-ylmethyl)-3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazole
CID 82736501
1-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-one
CID 82741272
1-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 82740956
3-(3-ethyl-2-pyridinyl)-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole
CID 82737296
1-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanone
CID 82740955

Frequently Asked Questions

What is the IUPAC name of 6-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine?
The IUPAC name of 6-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine (CID 82736599) is 6-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine.
What is the SMILES notation for 6-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine?
The canonical SMILES for 6-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine is CCc1cccnc1-c1noc(CCCCCCN)n1.
What is the InChIKey of 6-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine?
The InChIKey is OQTGLSAEIOLJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-2-12-8-7-11-17-14(12)15-18-13(20-19-15)9-5-3-4-6-10-16/h7-8,11H,2-6,9-10,16H2,1H3.
What are the key properties of 6-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine?
6-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine has a molecular weight of 274.37 g/mol, XLogP of 2.76, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine is sourced from PubChem (CID 82736599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).