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

C15H23N3O — CID 80601371

IUPAC4-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)cyclopent-2-en-1-amine
SMILESNC1C=CC(c2nc(C3CCCCCCC3)no2)C1
InChIInChI=1S/C15H23N3O/c16-13-9-8-12(10-13)15-17-14(18-19-15)11-6-4-2-1-3-5-7-11/h8-9,11-13H,1-7,10,16H2
InChIKeyZJGUDTRFMKTTJF-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.27
Rot. Bonds2

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

4-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)cyclopent-2-en-1-amine (PubChem CID 80601371) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)cyclopent-2-en-1-amine.

Molecular Properties

Compound Name4-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)cyclopent-2-en-1-amine
PubChem CID80601371
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name4-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)cyclopent-2-en-1-amine
SMILESNC1C=CC(c2nc(C3CCCCCCC3)no2)C1
InChIInChI=1S/C15H23N3O/c16-13-9-8-12(10-13)15-17-14(18-19-15)11-6-4-2-1-3-5-7-11/h8-9,11-13H,1-7,10,16H2
InChIKeyZJGUDTRFMKTTJF-UHFFFAOYSA-N
XLogP3.27
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)cyclopent-2-en-1-amine
CID 79215930
4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine
CID 79216157
4-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine
CID 79192547
3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)cyclopentan-1-amine
CID 66031794
4-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine
CID 79216671
2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)cyclopentan-1-amine
CID 65390691
3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
CID 64981970
5-(4-aminocyclopent-2-en-1-yl)-1,2,4-oxadiazole-3-carboxylic acid
CID 112631944
4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)thiolan-3-amine
CID 83200734
3-cyclopentyl-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 93357418
4-[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine
CID 79216665
3-cyclobutyl-5-piperidin-2-yl-1,2,4-oxadiazole
CID 64982229

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)cyclopent-2-en-1-amine?
The IUPAC name of 4-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)cyclopent-2-en-1-amine (CID 80601371) is 4-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)cyclopent-2-en-1-amine.
What is the SMILES notation for 4-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)cyclopent-2-en-1-amine?
The canonical SMILES for 4-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)cyclopent-2-en-1-amine is NC1C=CC(c2nc(C3CCCCCCC3)no2)C1.
What is the InChIKey of 4-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)cyclopent-2-en-1-amine?
The InChIKey is ZJGUDTRFMKTTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c16-13-9-8-12(10-13)15-17-14(18-19-15)11-6-4-2-1-3-5-7-11/h8-9,11-13H,1-7,10,16H2.
What are the key properties of 4-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)cyclopent-2-en-1-amine?
4-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)cyclopent-2-en-1-amine has a molecular weight of 261.37 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)cyclopent-2-en-1-amine is sourced from PubChem (CID 80601371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).