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

C13H12FN3O — CID 79216876

IUPAC4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine
SMILESNC1C=CC(c2nc(-c3cccc(F)c3)no2)C1
InChIInChI=1S/C13H12FN3O/c14-10-3-1-2-8(6-10)12-16-13(18-17-12)9-4-5-11(15)7-9/h1-6,9,11H,7,15H2
InChIKeyWDMZYFUZSHASKJ-UHFFFAOYSA-N
MW245.26 g/mol
LogP2.25
Rot. Bonds2

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

4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine (PubChem CID 79216876) has the molecular formula C13H12FN3O and a molecular weight of 245.26 g/mol. Its IUPAC name is 4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine.

Molecular Properties

Compound Name4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine
PubChem CID79216876
Molecular FormulaC13H12FN3O
Molecular Weight245.26 g/mol
Exact Mass245.10
IUPAC Name4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine
SMILESNC1C=CC(c2nc(-c3cccc(F)c3)no2)C1
InChIInChI=1S/C13H12FN3O/c14-10-3-1-2-8(6-10)12-16-13(18-17-12)9-4-5-11(15)7-9/h1-6,9,11H,7,15H2
InChIKeyWDMZYFUZSHASKJ-UHFFFAOYSA-N
XLogP2.25
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 52.25
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-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine
CID 79216665
4-[3-(2-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine
CID 107923431
3-(3-fluorophenyl)-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole
CID 139220637
3-(3-fluorophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride
CID 22248505
4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine
CID 63348552
4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol
CID 83201040
5-[2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]pyridine-2-sulfonamide
CID 138496378
3-(3-fluorophenyl)-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 90464045
3-(3-fluorophenyl)-5-(trichloromethyl)-1,2,4-oxadiazole
CID 59651736
(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride
CID 162768019
[(2R)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone
CID 100660192
3-(3-fluorophenyl)-1,2,4-oxadiazole-5-carboxylic acid
CID 69195463

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine?
The IUPAC name of 4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine (CID 79216876) is 4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine.
What is the SMILES notation for 4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine?
The canonical SMILES for 4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine is NC1C=CC(c2nc(-c3cccc(F)c3)no2)C1.
What is the InChIKey of 4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine?
The InChIKey is WDMZYFUZSHASKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O/c14-10-3-1-2-8(6-10)12-16-13(18-17-12)9-4-5-11(15)7-9/h1-6,9,11H,7,15H2.
What are the key properties of 4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine?
4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine has a molecular weight of 245.26 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine is sourced from PubChem (CID 79216876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).