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

C13H16FN3O — CID 54977652

IUPAC1-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]butan-1-amine
SMILESCCCC(N)c1nc(Cc2ccccc2F)no1
InChIInChI=1S/C13H16FN3O/c1-2-5-11(15)13-16-12(17-18-13)8-9-6-3-4-7-10(9)14/h3-4,6-7,11H,2,5,8,15H2,1H3
InChIKeyUVWPVCIKYKUDEB-UHFFFAOYSA-N
MW249.29 g/mol
LogP2.60
Rot. Bonds5

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

1-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]butan-1-amine (PubChem CID 54977652) has the molecular formula C13H16FN3O and a molecular weight of 249.29 g/mol. Its IUPAC name is 1-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]butan-1-amine.

Molecular Properties

Compound Name1-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]butan-1-amine
PubChem CID54977652
Molecular FormulaC13H16FN3O
Molecular Weight249.29 g/mol
Exact Mass249.13
IUPAC Name1-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]butan-1-amine
SMILESCCCC(N)c1nc(Cc2ccccc2F)no1
InChIInChI=1S/C13H16FN3O/c1-2-5-11(15)13-16-12(17-18-13)8-9-6-3-4-7-10(9)14/h3-4,6-7,11H,2,5,8,15H2,1H3
InChIKeyUVWPVCIKYKUDEB-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]butan-1-amine?
The IUPAC name of 1-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]butan-1-amine (CID 54977652) is 1-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]butan-1-amine.
What is the SMILES notation for 1-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]butan-1-amine?
The canonical SMILES for 1-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]butan-1-amine is CCCC(N)c1nc(Cc2ccccc2F)no1.
What is the InChIKey of 1-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]butan-1-amine?
The InChIKey is UVWPVCIKYKUDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O/c1-2-5-11(15)13-16-12(17-18-13)8-9-6-3-4-7-10(9)14/h3-4,6-7,11H,2,5,8,15H2,1H3.
What are the key properties of 1-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]butan-1-amine?
1-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]butan-1-amine has a molecular weight of 249.29 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]butan-1-amine is sourced from PubChem (CID 54977652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).