3-(5-cyclooctyl-1,2,4-oxadiazol-3-yl)pentan-3-amine

C15H27N3O — CID 65021193

IUPAC3-(5-cyclooctyl-1,2,4-oxadiazol-3-yl)pentan-3-amine
SMILESCCC(N)(CC)c1noc(C2CCCCCCC2)n1
InChIInChI=1S/C15H27N3O/c1-3-15(16,4-2)14-17-13(19-18-14)12-10-8-6-5-7-9-11-12/h12H,3-11,16H2,1-2H3
InChIKeyHSTBAOKQACEYTB-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.87
Rot. Bonds4

About 3-(5-cyclooctyl-1,2,4-oxadiazol-3-yl)pentan-3-amine

3-(5-cyclooctyl-1,2,4-oxadiazol-3-yl)pentan-3-amine (PubChem CID 65021193) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 3-(5-cyclooctyl-1,2,4-oxadiazol-3-yl)pentan-3-amine.

Molecular Properties

Compound Name3-(5-cyclooctyl-1,2,4-oxadiazol-3-yl)pentan-3-amine
PubChem CID65021193
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name3-(5-cyclooctyl-1,2,4-oxadiazol-3-yl)pentan-3-amine
SMILESCCC(N)(CC)c1noc(C2CCCCCCC2)n1
InChIInChI=1S/C15H27N3O/c1-3-15(16,4-2)14-17-13(19-18-14)12-10-8-6-5-7-9-11-12/h12H,3-11,16H2,1-2H3
InChIKeyHSTBAOKQACEYTB-UHFFFAOYSA-N
XLogP3.87
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-1-ethoxypropan-2-amine
CID 104636868
2-(5-cycloheptyl-1,2,4-oxadiazol-3-yl)-1-methoxypropan-2-amine
CID 104636584
2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-1-phenylbutan-2-amine
CID 79008177
1-cyclopropyl-1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)propan-1-amine
CID 64919546
2-[5-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 62717760
3-[5-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
CID 62803868
1-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)propan-1-amine
CID 61326658
5-cyclopentyl-1,2,4-oxadiazol-3-amine
CID 53418487
CID 162193867
CID 162193867
2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-methylhexan-2-amine
CID 43559704
ethyl 5-cyclooctyl-1,2,4-oxadiazole-3-carboxylate
CID 65020758
1-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-2,2-dimethylpropan-1-amine
CID 61323612

Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclooctyl-1,2,4-oxadiazol-3-yl)pentan-3-amine?
The IUPAC name of 3-(5-cyclooctyl-1,2,4-oxadiazol-3-yl)pentan-3-amine (CID 65021193) is 3-(5-cyclooctyl-1,2,4-oxadiazol-3-yl)pentan-3-amine.
What is the SMILES notation for 3-(5-cyclooctyl-1,2,4-oxadiazol-3-yl)pentan-3-amine?
The canonical SMILES for 3-(5-cyclooctyl-1,2,4-oxadiazol-3-yl)pentan-3-amine is CCC(N)(CC)c1noc(C2CCCCCCC2)n1.
What is the InChIKey of 3-(5-cyclooctyl-1,2,4-oxadiazol-3-yl)pentan-3-amine?
The InChIKey is HSTBAOKQACEYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-3-15(16,4-2)14-17-13(19-18-14)12-10-8-6-5-7-9-11-12/h12H,3-11,16H2,1-2H3.
What are the key properties of 3-(5-cyclooctyl-1,2,4-oxadiazol-3-yl)pentan-3-amine?
3-(5-cyclooctyl-1,2,4-oxadiazol-3-yl)pentan-3-amine has a molecular weight of 265.40 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclooctyl-1,2,4-oxadiazol-3-yl)pentan-3-amine is sourced from PubChem (CID 65021193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).