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

C12H21N3O2 — CID 65330439

IUPAC6-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]hexan-1-amine
SMILESNCCCCCCc1nc(C2CCOC2)no1
InChIInChI=1S/C12H21N3O2/c13-7-4-2-1-3-5-11-14-12(15-17-11)10-6-8-16-9-10/h10H,1-9,13H2
InChIKeyMEJZGWOAGVKIGK-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.64
Rot. Bonds7

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

6-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]hexan-1-amine (PubChem CID 65330439) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 6-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]hexan-1-amine.

Molecular Properties

Compound Name6-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]hexan-1-amine
PubChem CID65330439
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name6-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]hexan-1-amine
SMILESNCCCCCCc1nc(C2CCOC2)no1
InChIInChI=1S/C12H21N3O2/c13-7-4-2-1-3-5-11-14-12(15-17-11)10-6-8-16-9-10/h10H,1-9,13H2
InChIKeyMEJZGWOAGVKIGK-UHFFFAOYSA-N
XLogP1.64
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.64
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-cyclohexyl-1,2,4-oxadiazol-5-yl)pentan-1-amine
CID 29032656
3-methyl-5-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 65329879
5-[3-(azepan-1-yl)propyl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97434091
5-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]pentanoic acid
CID 65332109
N-[2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine
CID 65329990
5-(2-cyclohexylethyl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97436910
3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 65391886
5-[3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 115997582
N-[3-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]propyl]acetamide
CID 97437505
3-(oxolan-3-yl)-5-(3-thiophen-2-ylpropyl)-1,2,4-oxadiazole
CID 71920891
5-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 65422093
2-methyl-1-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 65330336

Frequently Asked Questions

What is the IUPAC name of 6-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]hexan-1-amine?
The IUPAC name of 6-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]hexan-1-amine (CID 65330439) is 6-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]hexan-1-amine.
What is the SMILES notation for 6-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]hexan-1-amine?
The canonical SMILES for 6-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]hexan-1-amine is NCCCCCCc1nc(C2CCOC2)no1.
What is the InChIKey of 6-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]hexan-1-amine?
The InChIKey is MEJZGWOAGVKIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c13-7-4-2-1-3-5-11-14-12(15-17-11)10-6-8-16-9-10/h10H,1-9,13H2.
What are the key properties of 6-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]hexan-1-amine?
6-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]hexan-1-amine has a molecular weight of 239.32 g/mol, XLogP of 1.64, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]hexan-1-amine is sourced from PubChem (CID 65330439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).