2-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylcyclopentan-1-amine

C15H17BrFN3O — CID 107282911

IUPAC2-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylcyclopentan-1-amine
SMILESCCNC1CCCC1c1nc(-c2ccc(F)cc2Br)no1
InChIInChI=1S/C15H17BrFN3O/c1-2-18-13-5-3-4-11(13)15-19-14(20-21-15)10-7-6-9(17)8-12(10)16/h6-8,11,13,18H,2-5H2,1H3
InChIKeyZIYRKLRIOHPYNY-UHFFFAOYSA-N
MW354.22 g/mol
LogP3.88
Rot. Bonds4

About 2-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylcyclopentan-1-amine

2-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylcyclopentan-1-amine (PubChem CID 107282911) has the molecular formula C15H17BrFN3O and a molecular weight of 354.22 g/mol. Its IUPAC name is 2-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylcyclopentan-1-amine.

Molecular Properties

Compound Name2-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylcyclopentan-1-amine
PubChem CID107282911
Molecular FormulaC15H17BrFN3O
Molecular Weight354.22 g/mol
Exact Mass353.05
IUPAC Name2-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylcyclopentan-1-amine
SMILESCCNC1CCCC1c1nc(-c2ccc(F)cc2Br)no1
InChIInChI=1S/C15H17BrFN3O/c1-2-18-13-5-3-4-11(13)15-19-14(20-21-15)10-7-6-9(17)8-12(10)16/h6-8,11,13,18H,2-5H2,1H3
InChIKeyZIYRKLRIOHPYNY-UHFFFAOYSA-N
XLogP3.88
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.22
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylcyclopentan-1-amine
CID 82788071
2-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylcyclopentan-1-amine
CID 66425697
N-ethyl-2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 63352575
2-[3-(2-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine
CID 107924535
2-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclopentan-1-amine
CID 63350172
N-ethyl-2-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 63350199
N-ethyl-2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 63553864
N-ethyl-2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 136990369
N-ethyl-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)cyclopentan-1-amine
CID 55201646
3-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 107280013
3-(2-bromo-4-fluorophenyl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 107280122
3-(2-bromo-4-fluorophenyl)-5-piperidin-2-yl-1,2,4-oxadiazole
CID 107280008

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylcyclopentan-1-amine?
The IUPAC name of 2-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylcyclopentan-1-amine (CID 107282911) is 2-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylcyclopentan-1-amine.
What is the SMILES notation for 2-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylcyclopentan-1-amine?
The canonical SMILES for 2-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylcyclopentan-1-amine is CCNC1CCCC1c1nc(-c2ccc(F)cc2Br)no1.
What is the InChIKey of 2-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylcyclopentan-1-amine?
The InChIKey is ZIYRKLRIOHPYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrFN3O/c1-2-18-13-5-3-4-11(13)15-19-14(20-21-15)10-7-6-9(17)8-12(10)16/h6-8,11,13,18H,2-5H2,1H3.
What are the key properties of 2-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylcyclopentan-1-amine?
2-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylcyclopentan-1-amine has a molecular weight of 354.22 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylcyclopentan-1-amine is sourced from PubChem (CID 107282911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).