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

C13H16FN3O — CID 65222968

IUPAC2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
SMILESCCCC(CN)c1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C13H16FN3O/c1-2-3-10(8-15)13-16-12(17-18-13)9-4-6-11(14)7-5-9/h4-7,10H,2-3,8,15H2,1H3
InChIKeyUDZFPFDIYXGWRW-UHFFFAOYSA-N
MW249.29 g/mol
LogP2.72
Rot. Bonds5

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

2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine (PubChem CID 65222968) has the molecular formula C13H16FN3O and a molecular weight of 249.29 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
PubChem CID65222968
Molecular FormulaC13H16FN3O
Molecular Weight249.29 g/mol
Exact Mass249.13
IUPAC Name2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
SMILESCCCC(CN)c1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C13H16FN3O/c1-2-3-10(8-15)13-16-12(17-18-13)9-4-6-11(14)7-5-9/h4-7,10H,2-3,8,15H2,1H3
InChIKeyUDZFPFDIYXGWRW-UHFFFAOYSA-N
XLogP2.72
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 65221932
2-amino-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 43514739
2-(3-methyl-1,2,4-oxadiazol-5-yl)pentan-1-amine
CID 65223012
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
CID 63348355
(1R)-1-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565672
N-ethyl-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 62851902
2-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 81272939
(1R)-1-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 103832498
2-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 65222472
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine
CID 63347982
1-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 43630132
1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 43630127

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
The IUPAC name of 2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine (CID 65222968) is 2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine.
What is the SMILES notation for 2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
The canonical SMILES for 2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine is CCCC(CN)c1nc(-c2ccc(F)cc2)no1.
What is the InChIKey of 2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
The InChIKey is UDZFPFDIYXGWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O/c1-2-3-10(8-15)13-16-12(17-18-13)9-4-6-11(14)7-5-9/h4-7,10H,2-3,8,15H2,1H3.
What are the key properties of 2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine has a molecular weight of 249.29 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine is sourced from PubChem (CID 65222968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).