4-[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine

C13H11F2N3O — CID 79216665

IUPAC4-[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine
SMILESNC1C=CC(c2nc(-c3cc(F)cc(F)c3)no2)C1
InChIInChI=1S/C13H11F2N3O/c14-9-3-8(4-10(15)6-9)12-17-13(19-18-12)7-1-2-11(16)5-7/h1-4,6-7,11H,5,16H2
InChIKeyUDUUSSIYKZSTTJ-UHFFFAOYSA-N
MW263.25 g/mol
LogP2.39
Rot. Bonds2

About 4-[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine

4-[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine (PubChem CID 79216665) has the molecular formula C13H11F2N3O and a molecular weight of 263.25 g/mol. Its IUPAC name is 4-[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine.

Molecular Properties

Compound Name4-[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine
PubChem CID79216665
Molecular FormulaC13H11F2N3O
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC Name4-[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine
SMILESNC1C=CC(c2nc(-c3cc(F)cc(F)c3)no2)C1
InChIInChI=1S/C13H11F2N3O/c14-9-3-8(4-10(15)6-9)12-17-13(19-18-12)7-1-2-11(16)5-7/h1-4,6-7,11H,5,16H2
InChIKeyUDUUSSIYKZSTTJ-UHFFFAOYSA-N
XLogP2.39
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 52.39
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-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine
CID 79216876
4-[3-(2-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine
CID 107923431
[4-[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 79526331
4-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)cyclopent-2-en-1-amine
CID 79215930
5-(4-aminocyclopent-2-en-1-yl)-1,2,4-oxadiazole-3-carboxylic acid
CID 112631944
3-(3,5-difluorophenyl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 106743347
3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-amine
CID 62470899
3-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 66423611
4-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)cyclopent-2-en-1-amine
CID 80601371
3-(3-bromo-5-fluorophenyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104915031
(5S)-5-[3-(3-fluoro-5-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104911435
4-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine
CID 79216885

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine?
The IUPAC name of 4-[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine (CID 79216665) is 4-[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine.
What is the SMILES notation for 4-[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine?
The canonical SMILES for 4-[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine is NC1C=CC(c2nc(-c3cc(F)cc(F)c3)no2)C1.
What is the InChIKey of 4-[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine?
The InChIKey is UDUUSSIYKZSTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N3O/c14-9-3-8(4-10(15)6-9)12-17-13(19-18-12)7-1-2-11(16)5-7/h1-4,6-7,11H,5,16H2.
What are the key properties of 4-[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine?
4-[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine has a molecular weight of 263.25 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine is sourced from PubChem (CID 79216665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).