1-[5-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine

C11H12FN3O — CID 63049853

IUPAC1-[5-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCc1ccc(F)cc1-c1nc(C(C)N)no1
InChIInChI=1S/C11H12FN3O/c1-6-3-4-8(12)5-9(6)11-14-10(7(2)13)15-16-11/h3-5,7H,13H2,1-2H3
InChIKeyGELFEROUMSFCRH-UHFFFAOYSA-N
MW221.23 g/mol
LogP2.20
Rot. Bonds2

About 1-[5-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine

1-[5-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine (PubChem CID 63049853) has the molecular formula C11H12FN3O and a molecular weight of 221.23 g/mol. Its IUPAC name is 1-[5-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine.

Molecular Properties

Compound Name1-[5-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine
PubChem CID63049853
Molecular FormulaC11H12FN3O
Molecular Weight221.23 g/mol
Exact Mass221.10
IUPAC Name1-[5-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCc1ccc(F)cc1-c1nc(C(C)N)no1
InChIInChI=1S/C11H12FN3O/c1-6-3-4-8(12)5-9(6)11-14-10(7(2)13)15-16-11/h3-5,7H,13H2,1-2H3
InChIKeyGELFEROUMSFCRH-UHFFFAOYSA-N
XLogP2.20
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The IUPAC name of 1-[5-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine (CID 63049853) is 1-[5-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine.
What is the SMILES notation for 1-[5-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The canonical SMILES for 1-[5-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine is Cc1ccc(F)cc1-c1nc(C(C)N)no1.
What is the InChIKey of 1-[5-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The InChIKey is GELFEROUMSFCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O/c1-6-3-4-8(12)5-9(6)11-14-10(7(2)13)15-16-11/h3-5,7H,13H2,1-2H3.
What are the key properties of 1-[5-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine?
1-[5-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine has a molecular weight of 221.23 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine is sourced from PubChem (CID 63049853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).